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Target
Steroid 21-hydroxylase
Ligand
BDBM50456363
Substrate
n/a
Meas. Tech.
ChEMBL_1755377 (CHEMBL4190137)
IC50
42±n/a nM
Citation
 Fehl, C; Vogt, CD; Yadav, R; Li, K; Scott, EE; Aubé, J Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2. J Med Chem 61:4946-4960 (2018) [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:
BDBM50456363
Synonyms:
CHEMBL4210737
Type:
Small organic molecule
Emp. Form.:
C25H33NO
Mol. Mass.:
363.5356
SMILES:
[H][C@@]12C[C@@]11C[C@@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)C(=CC[C@@]3([H])[C@]1([H])C2)c1cccnc1 |r,c:19|
Structure:
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