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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

NameSCHEMBL5428753
Molecular formulaC27H37N5O
IUPAC nameN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]aniline
Molecular weight447.627
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsCHEMBL3728582
4-[4-(2,5,7-Trimethyl-3H-imidazo[4,5-b]pyridin-3-ylmethyl)phenylamino]methyl-1-(4-tetrahydropyranyl)piperidine
STVFZAZKWBZRKV-UHFFFAOYSA-N
Inchi KeySTVFZAZKWBZRKV-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H37N5O/c1-19-16-20(2)29-27-26(19)30-21(3)32(27)18-23-4-6-24(7-5-23)28-17-22-8-12-31(13-9-22)25-10-14-33-15-11-25/h4-7,16,22,25,28H,8-15,17-18H2,1-3H3
PubChem CID69437633
ChEMBLCHEMBL3728582
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition83.0 %NoneChEMBL

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