Reaction Details Report a problem with these data
Target
Cytochrome P450 11B1, mitochondrial
Ligand
BDBM336516
Substrate
n/a
IC50
13.0±n/a nM
Citation
 Ali, A; Lo, MM; Metzger, E; Yin, L; Hartmann, R; Hu, Q; Heim, R; Zimmer, C Indoline compounds as aldosterone synthase inhibitors US Patent  US9745282 Publication Date 8/29/2017 
Target
Name:
Cytochrome P450 11B1, mitochondrial
Synonyms:
C11B1_HUMAN | CYP11B1 | CYPXIB1 | Cytochrome P450 11B, mitochondrial precursor | Cytochrome P450 11B1 | Cytochrome P450 11B1 (CYP11B1) | Cytochrome P450 11B1, mitochondrial | S11BH
Type:
Enzyme
Mol. Mass.:
57591.44
Organism:
Homo sapiens (Human)
Description:
P15538
Residue:
503
Sequence:
MALRAKAEVCMAVPWLSLQRAQALGTRAARVPRTVLPFEAMPRRPGNRWLRLLQIWREQGYEDLHLEVHQTFQELGPIFRYDLGGAGMVCVMLPEDVEKLQQVDSLHPHRMSLEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPEVLSPNAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWTSPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFSRPQQYTSIVAELLLNAELSPDAIKANSMELTAGSVDTTVFPLLMTLFELARNPNVQQALRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVASSDLVLQNYHIPAGTLVRVFLYSLGRNPALFPRPERYNPQRWLDIRGSGRNFYHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHLQVETLTQEDIKMVYSFILRPSMFPLLTFRAIN
  
Inhibitor
Name:
BDBM336516
Synonyms:
(R)-1-(7-fluoro-5-(5- (1,1,1-trifluoro-2- hydroxypropan-2-yl) pyridin-3-yl) indolin-1-l)ethanone | US9745282, 13 | US9745282, 14
Type:
Small organic molecule
Emp. Form.:
C18H16F4N2O2
Mol. Mass.:
368.3255
SMILES:
CC(=O)N1CCc2cc(cc(F)c12)-c1cncc(c1)C(C)(O)C(F)(F)F
Structure:
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