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Target
Steroid 21-hydroxylase
Ligand
BDBM50203333
Substrate
n/a
Meas. Tech.
ChEMBL_1625605 (CHEMBL3868074)
IC50
26±n/a nM
Citation
 Blass, BE; Iyer, P; Abou-Gharbia, M; Childers, WE; Gordon, JC; Ramanjulu, M; Morton, G; Arumugam, P; Boruwa, J; Ellingboe, J; Mitra, S; Nimmareddy, RR; Paliwal, S; Rajasekhar, J; Shivakumar, S; Srivastava, P; Tangirala, RS; Venkataramanaiah, K; Yanamandra, M Design, synthesis, and evaluation of (2S,4R)-Ketoconazole sulfonamide analogs as potential treatments for Metabolic Syndrome. Bioorg Med Chem Lett 26:5825-5829 (2016) [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:
BDBM50203333
Synonyms:
CHEMBL3968178
Type:
Small organic molecule
Emp. Form.:
C25H26Cl2F2N4O5S
Mol. Mass.:
603.466
SMILES:
FC(F)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Structure:
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