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Target
DNA ligase 1
Ligand
BDBM50261994
Substrate
n/a
Meas. Tech.
ChEMBL_514273 (CHEMBL979103)
IC50
13000±n/a nM
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 Chem 51:4553-62 (2008) [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:
BDBM50261994
Synonyms:
2-(7-chloro-4-nitrobenzo[c][1,2,5]oxadiazol-5-ylthio)acetic acid | CHEMBL444491
Type:
Small organic molecule
Emp. Form.:
C8H4ClN3O5S
Mol. Mass.:
289.652
SMILES:
OC(=O)CSc1cc(Cl)c2nonc2c1[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: