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Target
Steroid 21-hydroxylase
Ligand
BDBM50216168
Substrate
n/a
Meas. Tech.
ChEMBL_1755377 (CHEMBL4190137)
IC50
0.700000±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:
BDBM50216168
Synonyms:
CHEMBL132778
Type:
Small organic molecule
Emp. Form.:
C24H29NO
Mol. Mass.:
347.4932
SMILES:
[H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:3,24|
Structure:
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