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GPCR

NameD(4) dopamine receptor
SpeciesHomo sapiens (Human)
GeneDRD4
SynonymD4 receptor
D4R
Dopamine D4 receptor
dopamine receptor 4
d(2C) dopamine receptor
DiseaseErectile dysfunction
Psychotic disorders
Schizophrenia
Length467
Amino acid sequenceMGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC
UniProtP21917
Protein Data Bank5wiv, 5wiu
GPCR-HGmod modelP21917
3D structure modelThis structure is from PDB ID 5wiv.
BioLiPBL0394824, BL0394826, BL0394825
Therapeutic Target DatabaseT24983
ChEMBLCHEMBL219
IUPHAR217
DrugBankBE0009376, BE0000389

Ligand

NameCHEMBL51536
Molecular formulaC19H22ClN3O
IUPAC nameN-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide
Molecular weight343.855
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50058220
N-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-4-methyl-benzamide
4-Methyl-N-[[4-(2-chlorophenyl)piperazino]methyl]benzamide
Inchi KeyAUCTYGBZIOGIIA-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22ClN3O/c1-15-6-8-16(9-7-15)19(24)21-14-22-10-12-23(13-11-22)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
PubChem CID10617381
ChEMBLCHEMBL51536
IUPHARN/A
BindingDB50058220
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50218.0 nMPMID9191952BindingDB,ChEMBL
Ki12.0 nMPMID9191952BindingDB,ChEMBL
Ki12.02 nMPMID15808487BindingDB,ChEMBL
Ki218.78 nMPMID15808487BindingDB,ChEMBL
Max effect45.0 %PMID9191952ChEMBL

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