Reaction Details Report a problem with these data
Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM280332
Substrate
n/a
Meas. Tech.
Inhibitory Effect on hCYP11B2
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
15.0±n/a nM
Comments
extracted
Citation
 Ushirogochi, H; Sasaki, W; Onda, Y; Sakakibara, R; Akahoshi, F Disubstituted 1, 2, 4-triazine compound US Patent  US10029993 Publication Date 7/24/2018 
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:
BDBM280332
Synonyms:
US10029993, Example 252
Type:
Small organic molecule
Emp. Form.:
C24H33FN6O2
Mol. Mass.:
456.5562
SMILES:
CN(C)[C@H]1CC[C@@H](CC1)NC(=O)C(O)C1CCN(CC1)c1nncc(n1)-c1ccc(F)cc1 |r,wU:3.2,wD:6.9,(10.03,-3.02,;10.03,-4.56,;11.36,-5.33,;8.69,-5.33,;8.69,-6.87,;7.36,-7.64,;6.03,-6.87,;6.03,-5.33,;7.36,-4.56,;4.69,-7.64,;3.36,-6.87,;3.36,-5.33,;2.02,-7.64,;2.02,-9.18,;.69,-6.87,;-.64,-7.64,;-1.98,-6.87,;-1.98,-5.33,;-.64,-4.56,;.69,-5.33,;-3.31,-4.56,;-3.31,-3.02,;-4.64,-2.25,;-5.98,-3.02,;-5.98,-4.56,;-4.64,-5.33,;-7.31,-5.33,;-8.64,-4.56,;-9.98,-5.33,;-9.98,-6.87,;-11.31,-7.64,;-8.64,-7.64,;-7.31,-6.87,)|
Structure:
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