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GPCR

NameG-protein coupled receptor 4
SpeciesHomo sapiens (Human)
GeneGPR4
SynonymG-protein coupled receptor 19
GPR19
GPR4
DiseaseN/A
Length362
Amino acid sequenceMGNHTWEGCHVDSRVDHLFPPSLYIFVIGVGLPTNCLALWAAYRQVQQRNELGVYLMNLSIADLLYICTLPLWVDYFLHHDNWIHGPGSCKLFGFIFYTNIYISIAFLCCISVDRYLAVAHPLRFARLRRVKTAVAVSSVVWATELGANSAPLFHDELFRDRYNHTFCFEKFPMEGWVAWMNLYRVFVGFLFPWALMLLSYRGILRAVRGSVSTERQEKAKIKRLALSLIAIVLVCFAPYHVLLLSRSAIYLGRPWDCGFEERVFSAYHSSLAFTSLNCVADPILYCLVNEGARSDVAKALHNLLRFLASDKPQEMANASLTLETPLTSKRNSTAKAMTGSWAATPPSQGDQVQLKMLPPAQ
UniProtP46093
Protein Data BankN/A
GPCR-HGmod modelP46093
3D structure modelThis predicted structure model is from GPCR-EXP P46093.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3638324
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3675742
Molecular formulaC30H39N7O3
IUPAC nametert-butyl 4-[[1-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]triazol-4-yl]methyl]-4-hydroxypiperidine-1-carboxylate
Molecular weight545.688
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.2
SynonymsUS8748435, 34
BDBM123509
SCHEMBL12803058
Inchi KeyKGPXWGKTJXKTPF-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H39N7O3/c1-7-26-25(27-31-20(2)16-21(3)37(27)33-26)17-22-8-10-24(11-9-22)36-19-23(32-34-36)18-30(39)12-14-35(15-13-30)28(38)40-29(4,5)6/h8-11,16,19,39H,7,12-15,17-18H2,1-6H3
PubChem CID68379381
ChEMBLCHEMBL3675742
IUPHARN/A
BindingDB123509
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5077.0 nM, NoneBindingDB,ChEMBL

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