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Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM9485
Substrate
n/a
Meas. Tech.
ChEMBL_735122 (CHEMBL1694078)
IC50
289±n/a nM
Citation
 Stefanachi, A; Favia, AD; Nicolotti, O; Leonetti, F; Pisani, L; Catto, M; Zimmer, C; Hartmann, RW; Carotti, A Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-a-hydroxylase/C17-20 lyase. J Med Chem 54:1613-25 (2011) [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:
BDBM9485
Synonyms:
7-(benzyloxy)-4-(1H-imidazol-1-ylmethyl)-2H-chromen-2-one | 7-Benzyloxy-4-(1H-imidazol-1-ylmethyl)-2H-chromen-2-one | CHEMBL225499 | Coumarin deriv. 34
Type:
Small organic molecule
Emp. Form.:
C20H16N2O3
Mol. Mass.:
332.3526
SMILES:
O=c1cc(Cn2ccnc2)c2ccc(OCc3ccccc3)cc2o1
Structure:
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