| Reaction Details |
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 | Report a problem with these data |
| Target | DNA ligase 1 |
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| Ligand | BDBM50262039 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_514273 (CHEMBL979103) |
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| IC50 | 4000±n/a nM |
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| Citation |  Zhong, S; Chen, X; Zhu, X; Dziegielewska, B; Bachman, KE; Ellenberger, T; Ballin, JD; Wilson, GM; Tomkinson, AE; MacKerell, AD Identification and validation of human DNA ligase inhibitors using computer-aided drug design. J Med Chem51:4553-62 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| DNA ligase 1 |
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| Name: | DNA ligase 1 |
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| Synonyms: | ATP-dependent DNA ligase | DNA Ligase I | DNLI1_HUMAN | Fatty Acid Amide Hydrolase | LIG1 | Polydeoxyribonucleotide synthase [ATP] |
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| Type: | Enzyme |
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| Mol. Mass.: | 101721.76 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 919 |
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| Sequence: | MQRSIMSFFHPKKEGKAKKPEKEASNSSRETEPPPKAALKEWNGVVSESDSPVKRPGRKA
ARVLGSEGEEEDEALSPAKGQKPALDCSQVSPPRPATSPENNASLSDTSPMDSSPSGIPK
RRTARKQLPKRTIQEVLEEQSEDEDREAKRKKEEEEEETPKESLTEAEVATEKEGEDGDQ
PTTPPKPLKTSKAETPTESVSEPEVATKQELQEEEEQTKPPRRAPKTLSSFFTPRKPAVK
KEVKEEEPGAPGKEGAAEGPLDPSGYNPAKNNYHPVEDACWKPGQKVPYLAVARTFEKIE
EVSARLRMVETLSNLLRSVVALSPPDLLPVLYLSLNHLGPPQQGLELGVGDGVLLKAVAQ
ATGRQLESVRAEAAEKGDVGLVAENSRSTQRLMLPPPPLTASGVFSKFRDIARLTGSAST
AKKIDIIKGLFVACRHSEARFIARSLSGRLRLGLAEQSVLAALSQAVSLTPPGQEFPPAM
VDAGKGKTAEARKTWLEEQGMILKQTFCEVPDLDRIIPVLLEHGLERLPEHCKLSPGIPL
KPMLAHPTRGISEVLKRFEEAAFTCEYKYDGQRAQIHALEGGEVKIFSRNQEDNTGKYPD
IISRIPKIKLPSVTSFILDTEAVAWDREKKQIQPFQVLTTRKRKEVDASEIQVQVCLYAF
DLIYLNGESLVREPLSRRRQLLRENFVETEGEFVFATSLDTKDIEQIAEFLEQSVKDSCE
GLMVKTLDVDATYEIAKRSHNWLKLKKDYLDGVGDTLDLVVIGAYLGRGKRAGRYGGFLL
ASYDEDSEELQAICKLGTGFSDEELEEHHQSLKALVLPSPRPYVRIDGAVIPDHWLDPSA
VWEVKCADLSLSPIYPAARGLVDSDKGISLRFPRFIRVREDKQPEQATTSAQVACLYRKQ
SQIQNQQGEDSGSDPEDTY
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| BDBM50262039 |
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| n/a |
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| Name | BDBM50262039 |
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| Synonyms: | 3-amino-2-(benzylideneamino)-5-mercaptophenol | CHEMBL468589 |
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| Type | Small organic molecule |
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| Emp. Form. | C13H12N2OS |
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| Mol. Mass. | 244.312 |
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| SMILES | Nc1cc(S)cc(O)c1\N=C\c1ccccc1 |
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| Structure | 
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