1-[(2r,4s,5r)-5-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[(2r,3s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2r,3s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (CED0288158)

Record Information
Version1.0
Creation Date2026-08-30 20:40:48 UTC
Update Date2026-08-30 20:40:48 UTC
SynCED IDCED0288158
Secondary Accession Numbers
  • CHEM333621
Identification
Common Name1-[(2r,4s,5r)-5-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purin-9-yl)-2-[[[(2r,3s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2r,3s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2r,3s,5r)-2-[[[(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[(2r,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
ClassSmall Molecule
Description
This compound has the chemical formula C242H307N91O127P24S24. With an average molecular weight of 8,036 g/mol, this compound is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC242H307N91O127P24S24
Average Molecular MassNot Available
Monoisotopic Mass8029.736 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)S)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)O
InChI IdentifierInChI=1S/C242H307N91O127P24S24/c1-93-48-317(237(358)303-207(93)336)157-23-99(335)125(413-157)55-388-461(364,485)438-101-25-158(309-15-7-149(243)279-229(309)350)414-126(101)56-394-474(377,498)454-117-41-175(327-86-272-186-200(327)288-222(255)296-214(186)343)431-143(117)73-406-472(375,496)448-111-35-169(321-52-97(5)211(340)307-241(321)362)423-135(111)65-399-466(369,490)442-105-29-162(313-19-11-153(247)283-233(313)354)420-132(105)62-396-476(379,500)455-118-42-176(328-87-273-187-201(328)289-223(256)297-215(187)344)432-144(118)74-407-473(376,497)449-112-36-170(322-53-98(6)212(341)308-242(322)363)425-137(112)67-401-479(382,503)451-114-38-172(324-83-269-183-194(252)263-80-266-197(183)324)427-139(114)69-402-467(370,491)443-106-30-163(314-20-12-154(248)284-234(314)355)415-127(106)57-390-464(367,488)440-103-27-160(311-17-9-151(245)281-231(311)352)419-131(103)61-395-475(378,499)453-116-40-174(326-85-271-185-199(326)287-221(254)295-213(185)342)429-141(116)71-404-469(372,493)445-108-32-165(316-22-14-156(250)286-236(316)357)418-130(108)60-393-470(373,494)446-109-33-167(319-50-95(3)209(338)305-239(319)360)422-134(109)64-398-465(368,489)441-104-28-161(312-18-10-152(246)282-232(312)353)421-133(104)63-397-477(380,501)456-119-43-177(329-88-274-188-202(329)290-224(257)298-216(188)345)434-146(119)76-409-483(386,507)460-123-47-181(333-92-278-192-206(333)294-228(261)302-220(192)349)436-148(123)78-411-484(387,508)459-122-46-180(332-91-277-191-205(332)293-227(260)301-219(191)348)433-145(122)75-408-480(383,504)452-115-39-173(325-84-270-184-195(253)264-81-267-198(184)325)428-140(115)70-403-481(384,505)457-121-45-179(331-90-276-190-204(331)292-226(259)300-218(190)347)435-147(121)77-410-482(385,506)458-120-44-178(330-89-275-189-203(330)291-225(258)299-217(189)346)430-142(120)72-405-468(371,492)444-107-31-164(315-21-13-155(249)285-235(315)356)416-128(107)58-391-463(366,487)439-102-26-159(310-16-8-150(244)280-230(310)351)417-129(102)59-392-471(374,495)447-110-34-168(320-51-96(4)210(339)306-240(320)361)424-136(110)66-400-478(381,502)450-113-37-171(323-82-268-182-193(251)262-79-265-196(182)323)426-138(113)68-389-462(365,486)437-100-24-166(412-124(100)54-334)318-49-94(2)208(337)304-238(318)359/h7-22,48-53,79-92,99-148,157-181,334-335H,23-47,54-78H2,1-6H3,(H,364,485)(H,365,486)(H,366,487)(H,367,488)(H,368,489)(H,369,490)(H,370,491)(H,371,492)(H,372,493)(H,373,494)(H,374,495)(H,375,496)(H,376,497)(H,377,498)(H,378,499)(H,379,500)(H,380,501)(H,381,502)(H,382,503)(H,383,504)(H,384,505)(H,385,506)(H,386,507)(H,387,508)(H2,243,279,350)(H2,244,280,351)(H2,245,281,352)(H2,246,282,353)(H2,247,283,354)(H2,248,284,355)(H2,249,285,356)(H2,250,286,357)(H2,251,262,265)(H2,252,263,266)(H2,253,264,267)(H,303,336,358)(H,304,337,359)(H,305,338,360)(H,306,339,361)(H,307,340,362)(H,308,341,363)(H3,254,287,295,342)(H3,255,288,296,343)(H3,256,289,297,344)(H3,257,290,298,345)(H3,258,291,299,346)(H3,259,292,300,347)(H3,260,293,301,348)(H3,261,294,302,349)/t99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181+,461?,462?,463?,464?,465?,466?,467?,468?,469?,470?,471?,472?,473?,474?,475?,476?,477?,478?,479?,480?,481?,482?,483?,484?/m0/s1
InChI KeySNEQLNWOYNYOKB-QHTNWHDRSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity ValuesNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
No Sources linked to this compound
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Ribonuclease pancreatic structureClick to view 3D structureRibonuclease pancreaticP07998HumansPredicted (SEA)
Prediction Confidence Score
0.483
Applicability Domain
0.483
Statistical Significance
1.40e-04
Supporting Reference Compounds
1
E-value
1.08989
Non-secretory ribonuclease structureClick to view 3D structureNon-secretory ribonucleaseP10153HumansPredicted (SEA)
Prediction Confidence Score
0.483
Applicability Domain
0.483
Statistical Significance
1.40e-04
Supporting Reference Compounds
1
E-value
1.08989
Reverse transcriptase/RNaseH structureClick to view 3D structureReverse transcriptase/RNaseHQ72547Human immunodeficiency virus 1Predicted (SEA)
Prediction Confidence Score
0.391
Applicability Domain
0.438
Statistical Significance
0.0016
Supporting Reference Compounds
79
E-value
12.7673
Thymidylate synthase structureClick to view 3D structureThymidylate synthaseP00469Lactobacillus caseiPredicted (SEA)
Prediction Confidence Score
0.38
Applicability Domain
0.43
Statistical Significance
9.30e-04
Supporting Reference Compounds
33
E-value
7.23998
Click to view 3D structureThymidine kinase 2D3ZGQ2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.374
Applicability Domain
0.374
Statistical Significance
1.30e-04
Supporting Reference Compounds
1
E-value
1.01204
Click to view 3D structureP2Y purinoceptor 11Q96G91HumansPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.438
Statistical Significance
0.0023
Supporting Reference Compounds
13
E-value
18.2167
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)
Prediction Confidence Score
0.351
Applicability Domain
0.373
Statistical Significance
0.004
Supporting Reference Compounds
42
E-value
31.5289
Click to view 3D structureP2Y purinoceptor 1P49652Meleagris gallopavoPredicted (SEA)
Prediction Confidence Score
0.346
Applicability Domain
0.373
Statistical Significance
0.003
Supporting Reference Compounds
19
E-value
23.744
P2X purinoceptor 1 structureClick to view 3D structureP2X purinoceptor 1P51575HumansPredicted (SEA)
Prediction Confidence Score
0.341
Applicability Domain
0.373
Statistical Significance
0.0034
Supporting Reference Compounds
35
E-value
26.6244
Thymidylate kinase structureClick to view 3D structureThymidylate kinaseP9WKE1Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.43
Statistical Significance
2.30e-04
Supporting Reference Compounds
6
E-value
1.79053
Click to view 3D structureThymidine kinase, cytosolicP27158Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.366
Statistical Significance
5.10e-04
Supporting Reference Compounds
2
E-value
3.97031
DNA polymerase delta catalytic subunit structureClick to view 3D structureDNA polymerase delta catalytic subunitP28340HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.336
Statistical Significance
4.30e-04
Supporting Reference Compounds
1
E-value
3.34752
Click to view 3D structureThymidylate synthaseQ2TA32Bos taurusPredicted (SEA)
Prediction Confidence Score
0.334
Applicability Domain
0.343
Statistical Significance
3.70e-04
Supporting Reference Compounds
2
E-value
2.88042
Thymidine kinase, cytosolic structureClick to view 3D structureThymidine kinase, cytosolicP04183HumansPredicted (SEA)
Prediction Confidence Score
0.334
Applicability Domain
0.384
Statistical Significance
2.60e-04
Supporting Reference Compounds
11
E-value
2.02408
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.343
Statistical Significance
0.0042
Supporting Reference Compounds
44
E-value
32.7745
P2X purinoceptor 3 structureClick to view 3D structureP2X purinoceptor 3P56373HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.339
Statistical Significance
0.0048
Supporting Reference Compounds
51
E-value
37.7569
Heat shock cognate 71 kDa protein structureClick to view 3D structureHeat shock cognate 71 kDa proteinP19120Bos taurusPredicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.33
Statistical Significance
0.0031
Supporting Reference Compounds
1
E-value
24.5225
Sensor protein kinase WalK structureClick to view 3D structureSensor protein kinase WalKQ9RDT3Staphylococcus aureusPredicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.33
Statistical Significance
0.0031
Supporting Reference Compounds
1
E-value
24.5225
Thymidylate synthase ThyA structureClick to view 3D structureThymidylate synthase ThyAP9WFR9Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.33
Statistical Significance
1.70e-04
Supporting Reference Compounds
1
E-value
1.32344
ADP-ribose glycohydrolase MACROD1 structureClick to view 3D structureADP-ribose glycohydrolase MACROD1Q9BQ69HumansPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.325
Statistical Significance
0.0032
Supporting Reference Compounds
1
E-value
24.9118
ADP-ribose glycohydrolase MACROD2 structureClick to view 3D structureADP-ribose glycohydrolase MACROD2A1Z1Q3HumansPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.325
Statistical Significance
0.0032
Supporting Reference Compounds
1
E-value
24.9118
Thymidylate kinase structureClick to view 3D structureThymidylate kinaseP23919HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.541
Statistical Significance
5.00e-05
Supporting Reference Compounds
2
E-value
0.389246
Click to view 3D structureP2Y purinoceptor 12Q9EPX4Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.339
Statistical Significance
0.0031
Supporting Reference Compounds
11
E-value
24.289
P2X purinoceptor 4 structureClick to view 3D structureP2X purinoceptor 4P51577Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.373
Statistical Significance
0.0022
Supporting Reference Compounds
31
E-value
17.1268
Bifunctional ligase/repressor BirA structureClick to view 3D structureBifunctional ligase/repressor BirAP06709Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.315
Statistical Significance
0.0018
Supporting Reference Compounds
1
E-value
13.7793
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available