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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

NameMLS000545777
Molecular formulaC19H19N3OS
IUPAC name(5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
Molecular weight337.441
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.5
Synonyms3-benzyl-5-[4-(dimethylamino)benzylidene]-2-thioxo-4-imidazolidinone
HMS2187J14
(5Z)-3-benzyl-5-[(4-dimethylaminophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
AN-940/40648818
ZINC367358
[ Show all ]
Inchi KeyANCIYSVAHZBPLI-ATVHPVEESA-N
Inchi IDInChI=1S/C19H19N3OS/c1-21(2)16-10-8-14(9-11-16)12-17-18(23)22(19(24)20-17)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,20,24)/b17-12-
PubChem CID1803281
ChEMBLCHEMBL1303807
IUPHARN/A
BindingDB61608
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50650.595 nMN/ABindingDB
IC50650.6 nMPubChem BioAssay data setChEMBL

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