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Target
DNA ligase 1
Ligand
BDBM50335293
Substrate
n/a
Meas. Tech.
ChEMBL_759047 (CHEMBL1810900)
IC50
>200000±n/a nM
Citation
 Stokes, SS; Huynh, H; Gowravaram, M; Albert, R; Cavero-Tomas, M; Chen, B; Harang, J; Loch, JT; Lu, M; Mullen, GB; Zhao, S; Liu, CF; Mills, SD Discovery of bacterial NAD+-dependent DNA ligase inhibitors: optimization of antibacterial activity. Bioorg Med Chem Lett 21:4556-60 (2011) [PubMed]  Article 
Target
Name:
DNA ligase 1
Synonyms:
ATP-dependent DNA ligase | DNA Ligase I | DNLI1_HUMAN | Fatty Acid Amide Hydrolase | LIG1 | Polydeoxyribonucleotide synthase [ATP]
Type:
Enzyme
Mol. Mass.:
101721.76
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
919
Sequence:
MQRSIMSFFHPKKEGKAKKPEKEASNSSRETEPPPKAALKEWNGVVSESDSPVKRPGRKAARVLGSEGEEEDEALSPAKGQKPALDCSQVSPPRPATSPENNASLSDTSPMDSSPSGIPKRRTARKQLPKRTIQEVLEEQSEDEDREAKRKKEEEEEETPKESLTEAEVATEKEGEDGDQPTTPPKPLKTSKAETPTESVSEPEVATKQELQEEEEQTKPPRRAPKTLSSFFTPRKPAVKKEVKEEEPGAPGKEGAAEGPLDPSGYNPAKNNYHPVEDACWKPGQKVPYLAVARTFEKIEEVSARLRMVETLSNLLRSVVALSPPDLLPVLYLSLNHLGPPQQGLELGVGDGVLLKAVAQATGRQLESVRAEAAEKGDVGLVAENSRSTQRLMLPPPPLTASGVFSKFRDIARLTGSASTAKKIDIIKGLFVACRHSEARFIARSLSGRLRLGLAEQSVLAALSQAVSLTPPGQEFPPAMVDAGKGKTAEARKTWLEEQGMILKQTFCEVPDLDRIIPVLLEHGLERLPEHCKLSPGIPLKPMLAHPTRGISEVLKRFEEAAFTCEYKYDGQRAQIHALEGGEVKIFSRNQEDNTGKYPDIISRIPKIKLPSVTSFILDTEAVAWDREKKQIQPFQVLTTRKRKEVDASEIQVQVCLYAFDLIYLNGESLVREPLSRRRQLLRENFVETEGEFVFATSLDTKDIEQIAEFLEQSVKDSCEGLMVKTLDVDATYEIAKRSHNWLKLKKDYLDGVGDTLDLVVIGAYLGRGKRAGRYGGFLLASYDEDSEELQAICKLGTGFSDEELEEHHQSLKALVLPSPRPYVRIDGAVIPDHWLDPSAVWEVKCADLSLSPIYPAARGLVDSDKGISLRFPRFIRVREDKQPEQATTSAQVACLYRKQSQIQNQQGEDSGSDPEDTY
  
Inhibitor
Name:
BDBM50335293
Synonyms:
(2R,3R,4S,5R)-2-(6-amino-2-(butylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | 2-(butylsulfanyl)adenosine | CHEMBL1233689
Type:
Small organic molecule
Emp. Form.:
C14H21N5O4S
Mol. Mass.:
355.413
SMILES:
CCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Structure:
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