Reaction Details Report a problem with these data
Target
Cytochrome P450 11B1, mitochondrial
Ligand
BDBM50038608
Substrate
n/a
Meas. Tech.
ChEMBL_1444349 (CHEMBL3371780)
IC50
8550±n/a nM
Citation
 Grombein, CM; Hu, Q; Heim, R; Rau, S; Zimmer, C; Hartmann, RW 1-Phenylsulfinyl-3-(pyridin-3-yl)naphthalen-2-ols: a new class of potent and selective aldosterone synthase inhibitors. Eur J Med Chem 89:597-605 (2014) [PubMed]  Article 
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:
BDBM50038608
Synonyms:
CHEMBL3354865
Type:
Small organic molecule
Emp. Form.:
C22H14N2O2S
Mol. Mass.:
370.424
SMILES:
Oc1c(cc2ccccc2c1[S+]([O-])c1cccc(c1)C#N)-c1cccnc1
Structure:
Search PDB for entries with ligand similarity: