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Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM50206967
Substrate
n/a
Meas. Tech.
ChEMBL_1629493 (CHEMBL3872119)
IC50
5.8±n/a nM
Citation
 Whitehead, BR; Lo, MM; Ali, A; Park, MK; Hoyt, SB; Xiong, Y; Cai, J; Carswell, E; Cooke, A; MacLean, J; Ratcliffe, P; Robinson, J; Bennett, DJ; Clemas, JA; Wisniewski, T; Struthers, M; Cully, D; MacNeil, DJ Imidazopyridyl compounds as aldosterone synthase inhibitors. Bioorg Med Chem Lett 27:143-146 (2017) [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:
BDBM50206967
Synonyms:
CHEMBL3942187
Type:
Small organic molecule
Emp. Form.:
C19H15F3N4O
Mol. Mass.:
372.3438
SMILES:
C[C@](O)(c1cncc(c1)-c1nc2ccc(cn2c1C1CC1)C#N)C(F)(F)F |r|
Structure:
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