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Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM50339667
Substrate
n/a
Meas. Tech.
ChEMBL_1440362 (CHEMBL3385624)
IC50
150±n/a nM
Citation
 Stefanachi, A; Hanke, N; Pisani, L; Leonetti, F; Nicolotti, O; Catto, M; Cellamare, S; Hartmann, RW; Carotti, A Discovery of new 7-substituted-4-imidazolylmethyl coumarins and 4'-substituted-2-imidazolyl acetophenones open analogues as potent and selective inhibitors of steroid-11ß-hydroxylase. Eur J Med Chem 89:106-14 (2014) [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:
BDBM50339667
Synonyms:
4-(1H-Imidazol-1-ylmethyl)-7-{[3-(trifluoromethyl)benzyl]oxy}-2Hchromen-2-one | CHEMBL1688892
Type:
Small organic molecule
Emp. Form.:
C21H15F3N2O3
Mol. Mass.:
400.3506
SMILES:
FC(F)(F)c1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Structure:
Search PDB for entries with ligand similarity: