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Target
Cytochrome P450 2C19
Ligand
BDBM50547964
Substrate
n/a
Meas. Tech.
ChEMBL_2019474 (CHEMBL4673052)
IC50
>50000±n/a nM
Citation
 Gummadi, VR; Boruah, A; Ainan, BR; Vare, BR; Manda, S; Gondle, HP; Kumar, SN; Mukherjee, S; Gore, ST; Krishnamurthy, NR; Marappan, S; Nayak, SS; Nellore, K; Balasubramanian, WR; Bhumireddy, A; Giri, S; Gopinath, S; Samiulla, DS; Daginakatte, G; Basavaraju, A; Chelur, S; Eswarappa, R; Belliappa, C; Subramanya, HS; Booher, RN; Ramachandra, M; Samajdar, S Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies. ACS Med Chem Lett 11:2374-2381 (2020) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C19
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Homo sapiens (Human)
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50547964
Synonyms:
CHEMBL4783351
Type:
Small organic molecule
Emp. Form.:
C24H25N7O5
Mol. Mass.:
491.4992
SMILES:
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1 |r|
Structure:
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