Target
Cytochrome P450 7A1
Ligand
BDBM50004442
Substrate
n/a
Meas. Tech.
ChEBML_48771
IC50
546±n/a nM
Citation
 Rotstein, DMKertesz, DJWalker, KASwinney, DC Stereoisomers of ketoconazole: preparation and biological activity. J Med Chem 35:2818-25 (1992) [PubMed]  Article 
Target
Name:
Cytochrome P450 7A1
Synonyms:
CP7A1_RAT | Cyp7 | Cyp7a1
Type:
PROTEIN
Mol. Mass.:
56896.90
Organism:
Rattus norvegicus
Description:
ChEMBL_48771
Residue:
503
Sequence:
MMTISLIWGIAVLVSCCIWFIVGIRRRKAGEPPLENGLIPYLGCALKFGSNPLEFLRANQRKHGHVFTCKLMGKYVHFITNSLSYHKVLCHGKYFDWKKFHYTTSAKAFGHRSIDPNDGNTTENINNTFTKTLQGDALCSLSEAMMQNLQSVMRPPGLPKSKSNAWVTEGMYAFCYRVMFEAGYLTLFGRDISKTDTQKALILNNLDNFKQFDQVFPALVAGLPIHLFKTAHKAREKLAEGLKHKNLCVRDQVSELIRLRMFLNDTLSTFDDMEKAKTHLAILWASQANTIPATFWSLFQMIRSPEAMKAASEEVSGALQSAGQELSSGGSAIYLDQVQLNDLPVLDSIIKEALRLSSASLNIRTAKEDFTLHLEDGSYNIRKDDMIALYPQLMHLDPEIYPDPLTFKYDRYLDESGKAKTTFYSNGNKLKCFYMPFGSGATICPGRLFAVQEIKQFLILMLSCFELEFVESQVKCPPLDQSRAGLGILPPLHDIEFKYKLKH
  
Inhibitor
Name:
BDBM50004442
Synonyms:
(2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine | CHEMBL319160 | CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE
Type:
Small organic molecule
Emp. Form.:
C26H28Cl2N4O4
Mol. Mass.:
531.431
SMILES:
CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Structure:
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