Reaction Details
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Cytochrome P450 11B2, mitochondrial
Ligand
BDBM50092189
Substrate
n/a
Meas. Tech.
ChEMBL_1498857 (CHEMBL3583831)
IC50
8.1±n/a nM
Citation
Hoyt, SB; Park, MK; London, C; Xiong, Y; Tata, J; Bennett, DJ; Cooke, A; Cai, J; Carswell, E; Robinson, J; MacLean, J; Brown, L; Belshaw, S; Clarkson, TR; Liu, K; Liang, GB; Struthers, M; Cully, D; Wisniewski, T; Ren, N; Bopp, C; Sok, A; Cai, TQ; Stribling, S; Pai, LY; Ma, X; Metzger, J; Verras, A; McMasters, D; Chen, Q; Tung, E; Tang, W; Salituro, G; Buist, N; Kuethe, J; Rivera, N; Clemas, J; Zhou, G; Gibson, J; Maxwell, CA; Lassman, M; McLaughlin, T; Castro-Perez, J; Szeto, D; Forrest, G; Hajdu, R; Rosenbach, M; Ali, A Discovery of Benzimidazole CYP11B2 Inhibitors with in Vivo Activity in Rhesus Monkeys. ACS Med Chem Lett 6:573-8 (2015) [PubMed] Article More Info.:
Target
Name:
Cytochrome P450 11B2, mitochondrial
Synonyms:
Aldosterone Synthase (CYP11B2) | Aldosterone synthase | Aldosterone-synthesizing enzyme | C11B2_HUMAN | CYP11B2 | CYPXIB2 | Cytochrome P450 11B2 | Cytochrome P450 11B2 (CYP11B2) | Cytochrome P450 11B2, mitochondrial | P-450Aldo | P-450C18 | Steroid 18-hydroxylase
Type:
Protein
Mol. Mass.:
57582.15
Organism:
Homo sapiens (Human)
Description:
P19099
Residue:
503
Sequence:
MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRPERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQEDIKMVYSFILRPGTSPLLTFRAIN
Inhibitor
Name:
BDBM50092189
Synonyms:
CHEMBL3582480
Type:
Small organic molecule
Emp. Form.:
C16H10F5N3
Mol. Mass.:
339.2627
SMILES:
Fc1cc2nc(-c3cnccc3C(F)(F)F)n(C3CC3)c2cc1F
Structure:
