Target
Steroid 21-hydroxylase
Ligand
BDBM31768
Substrate
n/a
Meas. Tech.
ChEBML_158901
IC50
9010±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:
Steroid 21-hydroxylase
Synonyms:
CP21A_HUMAN | CYP21 | CYP21A2 | CYP21B | Cytochrome P450 21 | Cytochrome P450 21A2
Type:
PROTEIN
Mol. Mass.:
55896.25
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1498865
Residue:
494
Sequence:
MLLLGLLLLPLLAGARLLWNWWKLRSLHLPPLAPGFLHLLQPDLPIYLLGLTQKFGPIYRLHLGLQDVVVLNSKRTIEEAMVKKWADFAGRPEPLTYKLVSKNYPDLSLGDYSLLWKAHKKLTRSALLLGIRDSMEPVVEQLTQEFCERMRAQPGTPVAIEEEFSLLTCSIICYLTFGDKIKDDNLMPAYYKCIQEVLKTWSHWSIQIVDVIPFLRFFPNPGLRRLKQAIEKRDHIVEMQLRQHKESLVAGQWRDMMDYMLQGVAQPSMEEGSGQLLEGHVHMAAVDLLIGGTETTANTLSWAVVFLLHHPEIQQRLQEELDHELGPGASSSRVPYKDRARLPLLNATIAEVLRLRPVVPLALPHRTTRPSSISGYDIPEGTVIIPNLQGAHLDETVWERPHEFWPDRFLEPGKNSRALAFGCGARVCLGEPLARLELFVVLTRLLQAFTLLPSGDALPSLQPLPHCSVILKMQPFQVRLQPRGMGAHSPGQNQ
  
Inhibitor
Name:
BDBM31768
Synonyms:
CHEMBL295698 | Ketoconazole | Nizoral | Panfungol
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 |r|
Structure:
Search PDB for entries with ligand similarity: