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Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM50122365
Substrate
n/a
Meas. Tech.
ChEMBL_1519157 (CHEMBL3624350)
IC50
58±n/a nM
Citation
 Hoyt, SB; Petrilli, W; London, C; Liang, GB; Tata, J; Hu, Q; Yin, L; van Koppen, CJ; Hartmann, RW; Struthers, M; 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; Clemas, J; Zhou, G; Gibson, J; Maxwell, CA; Lassman, M; McLaughlin, T; Castro-Perez, J; Szeto, D; Forrest, G; Hajdu, R; Rosenbach, M; Xiong, Y Discovery of Triazole CYP11B2 Inhibitors with in Vivo Activity in Rhesus Monkeys. ACS Med Chem Lett 6:861-5 (2015) [PubMed]  Article 
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:
BDBM50122365
Synonyms:
CHEMBL3622437
Type:
Small organic molecule
Emp. Form.:
C18H16N4O2
Mol. Mass.:
320.3452
SMILES:
COC(=O)c1cncc(c1)-c1ccc-2c(CCc3nnc(C)n-23)c1
Structure:
Search PDB for entries with ligand similarity: