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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

NameCHEMBL574534
Molecular formulaC62H70N12O4
IUPAC nameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-[1-[[4-[4-[[4-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]triazol-1-yl]methyl]phenyl]phenyl]methyl]triazol-4-yl]benzamide
Molecular weight1047.32
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP8.8
Synonyms4,4'-[(Biphenyl-4,4'-diyl)bis[methylene(1H-1,2,3-triazole-1,4-diyl)]]bis[N-[4-[4-(2-methoxyphenyl)piperazino]butyl]benzamide]
4,4''-[Biphenyl-4,4''-diylbis(methylene-1H-1,2,3-triazole-1,4-diyl)]bis(N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}benzamide)
BDBM50299412
Inchi KeyKEOJOHYWCQCCER-UHFFFAOYSA-N
Inchi IDInChI=1S/C62H70N12O4/c1-77-59-13-5-3-11-57(59)71-39-35-69(36-40-71)33-9-7-31-63-61(75)53-27-23-51(24-28-53)55-45-73(67-65-55)43-47-15-19-49(20-16-47)50-21-17-48(18-22-50)44-74-46-56(66-68-74)52-25-29-54(30-26-52)62(76)64-32-8-10-34-70-37-41-72(42-38-70)58-12-4-6-14-60(58)78-2/h3-6,11-30,45-46H,7-10,31-44H2,1-2H3,(H,63,75)(H,64,76)
PubChem CID45483655
ChEMBLCHEMBL574534
IUPHARN/A
BindingDB50299412
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki850.0 nMPMID19807103ChEMBL

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