Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSteroid 21-hydroxylase
LigandBDBM314740
Substrate/Competitorn/a
Meas. Tech.Enzyme Activity Assay
IC50 8.00±912 nM
Citation Aube, JScott, EEFehl, C Inhibitors of CYP17A1 US Patent US9611270 Publication Date 4/4/2017
More Info.:Get all data from this article,  Assay Method
 
Steroid 21-hydroxylase
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:
MLLLGLLLLPLLAGARLLWNWWKLRSLHLPPLAPGFLHLLQPDLPIYLLGLTQKFGPIYR
LHLGLQDVVVLNSKRTIEEAMVKKWADFAGRPEPLTYKLVSKNYPDLSLGDYSLLWKAHK
KLTRSALLLGIRDSMEPVVEQLTQEFCERMRAQPGTPVAIEEEFSLLTCSIICYLTFGDK
IKDDNLMPAYYKCIQEVLKTWSHWSIQIVDVIPFLRFFPNPGLRRLKQAIEKRDHIVEMQ
LRQHKESLVAGQWRDMMDYMLQGVAQPSMEEGSGQLLEGHVHMAAVDLLIGGTETTANTL
SWAVVFLLHHPEIQQRLQEELDHELGPGASSSRVPYKDRARLPLLNATIAEVLRLRPVVP
LALPHRTTRPSSISGYDIPEGTVIIPNLQGAHLDETVWERPHEFWPDRFLEPGKNSRALA
FGCGARVCLGEPLARLELFVVLTRLLQAFTLLPSGDALPSLQPLPHCSVILKMQPFQVRL
QPRGMGAHSPGQNQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM314740
n/a
NameBDBM314740
Synonyms:US9611270, Example 42
TypeSmall organic molecule
Emp. Form.C25H32N2O2
Mol. Mass.392.5338
SMILESC[C@]12CC[C@H]3[C@@H](CC(C(N)=O)=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 |r,c:24,t:10|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: