Reaction Details |
| Report a problem with these data |
Target | Steroid 21-hydroxylase |
---|
Ligand | BDBM50435990 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1755377 (CHEMBL4190137) |
---|
IC50 | 77±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 Chem61:4946-4960 (2018) [PubMed] Article |
---|
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
|
|
|
BDBM50435990 |
---|
n/a |
---|
Name | BDBM50435990 |
Synonyms: | GALETERONE | TOK-001 | US9611270, galaterone | VN/124 | VN/124-1 |
Type | Small organic molecule |
Emp. Form. | C26H32N2O |
Mol. Mass. | 388.5451 |
SMILES | C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1cnc2ccccc12 |r,c:21,t:7| |
Structure |
|