Reaction Details Report a problem with these data
Target
Cytochrome P450 4A11
Ligand
BDBM558531
Substrate
n/a
Meas. Tech.
Inhibition Test for Each Compound of the Present Invention Against 20-HETE Producing Enzymes (CYP4F2 and CYP4A11)
IC50
15.0±n/a nM
Citation
 Tanaka, H; Kawamura, M; Hamada, M; Kobashi, Y; Ito, Y; Suzuki, K; Bohno, A; Funayama, K Pyridine compound substituted with azole US Patent  US11365192 Publication Date 6/21/2022 
Target
Name:
Cytochrome P450 4A11
Synonyms:
1.14.14.1 | 1.14.14.80 | 20-HETE synthase | 20-hydroxyeicosatetraenoic acid synthase | CP4AB_HUMAN | CYP4A11 | CYP4A2 | CYP4AII | CYPIVA11 | Cytochrome P-450HK-omega | Cytochrome P450 4A11 | Cytochrome P450HL-omega | Fatty acid omega-hydroxylase | Lauric acid omega-hydroxylase | Long-chain fatty acid omega-monooxygenase | Synonyms=CYP4A2
Type:
PROTEIN
Mol. Mass.:
59367.30
Organism:
Homo sapiens
Description:
ChEMBL_119703
Residue:
519
Sequence:
MSVSVLSPSRLLGDVSGILQAASLLILLLLLIKAVQLYLHRQWLLKALQQFPCPPSHWLFGHIQELQQDQELQRIQKWVETFPSACPHWLWGGKVRVQLYDPDYMKVILGRSDPKSHGSYRFLAPWIGYGLLLLNGQTWFQHRRMLTPAFHYDILKPYVGLMADSVRVMLDKWEELLGQDSPLEVFQHVSLMTLDTIMKCAFSHQGSIQVDRNSQSYIQAISDLNNLVFSRVRNAFHQNDTIYSLTSAGRWTHRACQLAHQHTDQVIQLRKAQLQKEGELEKIKRKRHLDFLDILLLAKMENGSILSDKDLRAEVDTFMFEGHDTTASGISWILYALATHPKHQERCREEIHSLLGDGASITWNHLDQMPYTTMCIKEALRLYPPVPGIGRELSTPVTFPDGRSLPKGIMVLLSIYGLHHNPKVWPNPEVFDPFRFAPGSAQHSHAFLPFSGGSRNCIGKQFAMNELKVATALTLLRFELLPDPTRIPIPIARLVLKSKNGIHLRLRRLPNPCEDKDQL
  
Inhibitor
Name:
BDBM558531
Synonyms:
US11365192, Example 72-8
Type:
Small organic molecule
Emp. Form.:
C21H20FN3O3
Mol. Mass.:
381.4002
SMILES:
OC(=O)C1(Cc2cccc(CCOc3ccc(nc3)-c3ccn[nH]3)c2F)CC1
Structure:
Search PDB for entries with ligand similarity: