Reaction Details Report a problem with these data
Target
Peroxisomal acyl-coenzyme A oxidase 1
Ligand
BDBM50138611
Substrate
n/a
Meas. Tech.
ChEBML_154606
IC50
850±n/a nM
Citation
Koltun, DO; Marquart, TA; Shenk, KD; Elzein, E; Li, Y; Nguyen, M; Kerwar, S; Zeng, D; Chu, N; Soohoo, D; Hao, J; Maydanik, VY; Lustig, DA; Ng, KJ; Fraser, H; Zablocki, JA New fatty acid oxidation inhibitors with increased potency lacking adverse metabolic and electrophysiological properties. Bioorg Med Chem Lett 14:549-52 (2003) [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:
BDBM50138611
Synonyms:
CHEMBL150614 | N-(9-Ethyl-9H-carbazol-3-yl)-2-{4-[(R)-2-hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-piperazin-1-yl}-acetamide
Type:
Small organic molecule
Emp. Form.:
C31H35N5O3S
Mol. Mass.:
557.706
SMILES:
CCn1c2ccccc2c2cc(NC(=O)CN3CCN(C[C@@H](O)COc4ccc5sc(C)nc5c4)CC3)ccc12