Reaction Details Report a problem with these data
Target
DNA ligase 1
Ligand
BDBM23055
Substrate
BDBM23028
Meas. Tech.
FAAH Inhibition Assay
pH
9±n/a
Temperature
295.15±n/a K
Ki
1±0.3 nM
IC50
0.4±n/a nM
Citation
 Hardouin, C; Kelso, MJ; Romero, FA; Rayl, TJ; Leung, D; Hwang, I; Cravatt, BF; Boger, DL Structure-activity relationships of alpha-ketooxazole inhibitors of fatty acid amide hydrolase. J Med Chem 50:3359-68 (2007) [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:
BDBM23055
Synonyms:
alpha-ketooxazole, 5aa | methyl 2-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptyl}benzoate
Type:
Small organic molecule
Emp. Form.:
C23H24N2O4
Mol. Mass.:
392.4477
SMILES:
COC(=O)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM23028
Synonyms:
(9Z)-octadec-9-enamide | 14C-labeled oleamide | CHEMBL15927 | Oleamide | Oleic acid amide | Oleylamide
Type:
n/a
Emp. Form.:
C18H35NO
Mol. Mass.:
281.4766
SMILES:
CCCCCCCC\C=C/CCCCCCCC(N)=O
Structure:
Search PDB for entries with ligand similarity: