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Target
DNA ligase 1
Ligand
BDBM50148911
Substrate
n/a
Meas. Tech.
ChEMBL_1837505 (CHEMBL4337638)
IC50
262000±n/a nM
Citation
 Saquib, M; Ansari, MI; Johnson, CR; Khatoon, S; Kamil Hussain, M; Coop, A Recent advances in the targeting of human DNA ligase I as a potential new strategy for cancer treatment. Eur J Med Chem 182:0 (2019) [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:
BDBM50148911
Synonyms:
(3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hydroxyurs-12-en-28-oic acid | CHEMBL169 | Ursolic acid | malol | prunol | urson
Type:
Small organic molecule
Emp. Form.:
C30H48O3
Mol. Mass.:
456.7003
SMILES:
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Structure:
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