Reaction Details Report a problem with these data
Target
Peroxisomal acyl-coenzyme A oxidase 1
Ligand
BDBM50156441
Substrate
n/a
Meas. Tech.
ChEMBL_311972 (CHEMBL834389)
IC50
1560±n/a nM
Citation
Elzein, E; Ibrahim, P; Koltun, DO; Rehder, K; Shenk, KD; Marquart, TA; Jiang, B; Li, X; Natero, R; Li, Y; Nguyen, M; Kerwar, S; Chu, N; Soohoo, D; Hao, J; Maydanik, VY; Lustig, DA; Zeng, D; Leung, K; Zablocki, JA CVT-4325: a potent fatty acid oxidation inhibitor with favorable oral bioavailability. Bioorg Med Chem Lett 14:6017-21 (2004) [PubMed] Article
More Info.:
Target
Name:
Peroxisomal acyl-coenzyme A oxidase 1
Synonyms:
ACOX1_RAT | AOX | Acox | Acox1 | Palmitoyl-CoA oxidase | Peroxisomal acyl-CoA oxidase 1, A chain | Peroxisomal acyl-CoA oxidase 1, B chain | Peroxisomal acyl-CoA oxidase 1, C chain | Peroxisomal acyl-coenzyme A oxidase 1
Type:
PROTEIN
Mol. Mass.:
74693.04
Organism:
Rattus norvegicus
Description:
ChEMBL_311972
Residue:
661
Sequence:
MNPDLRKERASATFNPELITHILDGSPENTRRRREIENLILNDPDFQHEDYNFLTRSQRYEVAVKKSATMVKKMREYGISDPEEIMWFKKLYLANFVEPVGLNYSMFIPTLLNQGTTAQQEKWMRPSQELQIIGTYAQTEMGHGTHLRGLETTATYDPKTQEFILNSPTVTSIKWWPGGLGKTSNHAIVLAQLITQGECYGLHAFVVPIREIGTHKPLPGITVGDIGPKFGYEEMDNGYLKMDNYRIPRENMLMKYAQVKPDGTYVKPLSNKLTYGTMVFVRSFLVGNAAQSLSKACTIAIRYSAVRRQSEIKQSEPEPQILDFQTQQYKLFPLLATAYAFHFVGRYMKETYLRINESIGQGDLSELPELHALTAGLKAFTTWTANAGIEECRMACGGHGYSHSSGIPNIYVTFTPACTFEGENTVMMLQTARFLMKIYDQVRSGKLVGGMVSYLNDLPSQRIQPQQVAVWPTMVDINSLEGLTEAYKLRAARLVEIAAKNLQTHVSHRKSKEVAWNLTSVDLVRASEAHCHYVVVKVFSDKLPKIQDKAVQAVLRNLCLLYSLYGISQKGGDFLEGSIITGAQLSQVNARILELLTLIRPNAVALVDAFDFKDMTLGSVLGRYDGNVYENLFEWAKKSPLNKTEVHESYHKHLKPLQSKL
Inhibitor
Name:
BDBM50156441
Synonyms:
(R)-1-{4-[3-(3,4-Dichloro-phenyl)-[1,2,4]oxadiazol-5-ylmethyl]-piperazin-1-yl}-3-(2-methyl-benzothiazol-5-yloxy)-propan-2-ol | CHEMBL185771
Type:
Small organic molecule
Emp. Form.:
C24H25Cl2N5O3S
Mol. Mass.:
534.458
SMILES:
Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc(no4)-c4ccc(Cl)c(Cl)c4)CC3)ccc2s1