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Target
Cytochrome P450 11B1, mitochondrial
Ligand
BDBM50206216
Substrate
n/a
Meas. Tech.
ChEMBL_1628626 (CHEMBL3871211)
IC50
1308±n/a nM
Citation
 Petrilli, WL; Hoyt, SB; London, C; McMasters, D; Verras, A; Struthers, M; Cully, D; Wisniewski, T; Ren, N; Bopp, C; Sok, A; Chen, Q; Li, Y; Tung, E; Tang, W; Salituro, G; Knemeyer, I; Karanam, B; Clemas, J; Zhou, G; Gibson, J; Shipley, CA; MacNeil, DJ; Duffy, R; Tata, JR; Ujjainwalla, F; Ali, A; Xiong, Y Discovery of Spirocyclic Aldosterone Synthase Inhibitors as Potential Treatments for Resistant Hypertension. ACS Med Chem Lett 8:128-132 (2017) [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:
BDBM50206216
Synonyms:
CHEMBL3899850
Type:
Small organic molecule
Emp. Form.:
C17H21N3
Mol. Mass.:
267.3687
SMILES:
C1CC2(CN1)CCN(CC2)c1cncc2ccccc12
Structure:
Search PDB for entries with ligand similarity: