Reaction Details Report a problem with these data
Target
Peroxisomal acyl-coenzyme A oxidase 1
Ligand
BDBM50156439
Substrate
n/a
Meas. Tech.
ChEMBL_311972 (CHEMBL834389)
IC50
4800±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 
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:
BDBM50156439
Synonyms:
(R)-1-(2-Methyl-benzothiazol-5-yloxy)-3-{4-[5-(4-trifluoromethyl-phenyl)-[1,3,4]oxadiazol-2-ylmethyl]-piperazin-1-yl}-propan-2-ol | CHEMBL186837
Type:
Small organic molecule
Emp. Form.:
C25H26F3N5O3S
Mol. Mass.:
533.566
SMILES:
Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nnc(o4)-c4ccc(cc4)C(F)(F)F)CC3)ccc2s1
Structure:
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