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GPCR

NameG-protein coupled receptor 35
SpeciesHomo sapiens (Human)
GeneGPR35
SynonymG-protein coupled receptor 3
GPR35
KYNA receptor
Kynurenic acid receptor
DiseaseN/A
Length309
Amino acid sequenceMNGTYNTCGSSDLTWPPAIKLGFYAYLGVLLVLGLLLNSLALWVFCCRMQQWTETRIYMTNLAVADLCLLCTLPFVLHSLRDTSDTPLCQLSQGIYLTNRYMSISLVTAIAVDRYVAVRHPLRARGLRSPRQAAAVCAVLWVLVIGSLVARWLLGIQEGGFCFRSTRHNFNSMAFPLLGFYLPLAVVVFCSLKVVTALAQRPPTDVGQAEATRKAARMVWANLLVFVVCFLPLHVGLTVRLAVGWNACALLETIRRALYITSKLSDANCCLDAICYYYMAKEFQEASALAVAPSAKAHKSQDSLCVTLA
UniProtQ9HC97
Protein Data BankN/A
GPCR-HGmod modelQ9HC97
3D structure modelThis predicted structure model is from GPCR-EXP Q9HC97.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1293267
IUPHAR102
DrugBankBE0005562

Ligand

NameMLS-0437175.0001
Molecular formulaC20H18N4
IUPAC name7-methyl-2,4-bis(4-methylphenyl)pyrazolo[3,4-d]pyridazine
Molecular weight314.392
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.9
SynonymsMCULE-9925304846
ZINC36649130
CHEMBL1707517
7-methyl-2,4-bis(4-methylphenyl)pyrazolo[3,4-d]pyridazine
BDBM76071
[ Show all ]
Inchi KeyFTYRPHUIBDQVCC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18N4/c1-13-4-8-16(9-5-13)20-18-12-24(17-10-6-14(2)7-11-17)23-19(18)15(3)21-22-20/h4-12H,1-3H3
PubChem CID45917986
ChEMBLCHEMBL1707517
IUPHARN/A
BindingDB76071
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC50<32000.0 nM, PubChem BioAssay data setBindingDB,ChEMBL
IC5015400.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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