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GPCR

NameD(4) dopamine receptor
SpeciesHomo sapiens (Human)
GeneDRD4
SynonymDopamine D4 receptor
dopamine receptor 4
D4R
d(2C) dopamine receptor
D4 receptor
DiseaseErectile dysfunction
Psychotic disorders
Schizophrenia
Length467
Amino acid sequenceMGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC
UniProtP21917
Protein Data Bank5wiu, 5wiv
GPCR-HGmod modelP21917
3D structure modelThis structure is from PDB ID 5wiu.
BioLiPBL0394824, BL0394825, BL0394826
Therapeutic Target DatabaseT24983
ChEMBLCHEMBL219
IUPHAR217
DrugBankBE0009376, BE0000389

Ligand

NameCHEMBL326454
Molecular formulaC21H26ClN3O2
IUPAC nameN-[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide
Molecular weight387.908
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50132696
N-((3R,4R)-1-Benzyl-4-methyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylamino-benzamide
N-[(3R)-1-Benzyl-4alpha-methyl-3alpha-pyrrolidinyl]-2-methoxy-4-(methylamino)-5-chlorobenzamide
Inchi KeyDCJWAUUNGWWIFD-KUHUBIRLSA-N
Inchi IDInChI=1S/C21H26ClN3O2/c1-14-11-25(12-15-7-5-4-6-8-15)13-19(14)24-21(26)16-9-17(22)18(23-2)10-20(16)27-3/h4-10,14,19,23H,11-13H2,1-3H3,(H,24,26)/t14-,19+/m1/s1
PubChem CID9977532
ChEMBLCHEMBL326454
IUPHARN/A
BindingDB50132696
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki0.23 nMPMID12951112ChEMBL
Ki0.23 nMPMID12951112BindingDB
Ki0.84 nMPMID12951112ChEMBL
Ki0.84 nMPMID12951112BindingDB

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