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Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM50541747
Substrate
n/a
Meas. Tech.
ChEMBL_1985336 (CHEMBL4618742)
IC50
179±n/a nM
Citation
 Liu, Y; Wu, J; Zhou, M; Chen, W; Li, D; Wang, Z; Hornsperger, B; Aebi, JD; Märki, HP; Kuhn, B; Wang, L; Kuglstatter, A; Benz, J; Müller, S; Hochstrasser, R; Ottaviani, G; Xin, J; Kirchner, S; Mohr, S; Verry, P; Riboulet, W; Shen, HC; Mayweg, AV; Amrein, K; Tan, X Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors. J Med Chem 63:6876-6897 (2020) [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:
BDBM50541747
Synonyms:
CHEMBL4633083
Type:
Small organic molecule
Emp. Form.:
C13H9ClN2O
Mol. Mass.:
244.676
SMILES:
Clc1ccc2C(=O)N(Cc2c1)c1cccnc1
Structure:
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