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TargetSteroid 21-hydroxylase
LigandBDBM50405216
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2264889
IC50>10000±n/a nM
Citation Padmakar Darne, CVelaparthi, USaulnier, MFrennesson, DLiu, PHuang, ATokarski, JFura, ASpires, TNewitt, JSpires, VMObermeier, MTElzinga, PAGottardis, MMJayaraman, LVite, GDBalog, A The discovery of BMS-737 as a potent, CYP17 lyase-selective inhibitor for the treatment of castration-resistant prostate cancer. Bioorg Med Chem Lett75:0 (2022) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Steroid 21-hydroxylase
Name:Steroid 21-hydroxylase
Synonyms:1.14.14.16 | 21-OHase | CYP21 | CYP21A2 | CYP21B | Cytochrome P-450c21 | Cytochrome P450 21 | Cytochrome P450 XXI | Cytochrome P450-C21 | Cytochrome P450-C21B | Steroid 21-hydroxylase
Type:PROTEIN
Mol. Mass.:56010.39
Organism:Homo sapiens
Description:ChEMBL_11542
Residue:495
Sequence:
MLLLGLLLLLPLLAGARLLWNWWKLRSLHLPPLAPGFLHLLQPDLPIYLLGLTQKFGPIY
RLHLGLQDVVVLNSKRTIEEAMVKKWADFAGRPEPLTYKLVSRNYPDLSLGDYSLLWKAH
KKLTRSALLLGIRDSMEPVVEQLTQEFCERMRAQPGTPVAIEEEFSLLTCSIICYLTFGD
KIKDDNLMPAYYKCIQEVLKTWSHWSIQIVDVIPFLRFFPNPGLRRLKQAIEKRDHIVEM
QLRQHKESLVAGQWRDMMDYMLQGVAQPSMEEGSGQLLEGHVHMAAVDLLIGGTETTANT
LSWAVVFLLHHPEIQQRLQEELDHELGPGASSSRVPYKDRARLPLLNATIAEVLRLRPVV
PLALPHRTTRPSSISGYDIPEGTVIIPNLQGAHLDETVWERPHEFWPDRFLEPGKNSRAL
AFGCGARVCLGEPLARLELFVVLTRLLQAFTLLPSGDALPSLQPLPHCSVILKMQPFQVR
LQPRGMGAHSPGQSQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50405216
n/a
NameBDBM50405216
Synonyms:CHEMBL5290029
TypeSmall organic molecule
Emp. Form.C16H11FN6
Mol. Mass.306.2971
SMILESNc1ncncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: