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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

NameCHEMBL538977
Molecular formulaC23H26N4O3
IUPAC name3-(3-nitrophenyl)-5-[4-(4-phenylpiperazin-1-yl)butyl]-1,2-oxazole
Molecular weight406.486
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.5
SynonymsCHEMBL1189537
1-{4-[3-(3-Nitro-phenyl)-isoxazol-5-yl]-butyl}-4-phenyl-piperazine; hydrochloride
BDBM50112798
SCHEMBL6768248
3-(3-Nitrophenyl)-5-[4-(4-phenylpiperazino)butyl]isoxazole
Inchi KeyAFTMDSQMJPSVNL-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N4O3/c28-27(29)21-10-6-7-19(17-21)23-18-22(30-24-23)11-4-5-12-25-13-15-26(16-14-25)20-8-2-1-3-9-20/h1-3,6-10,17-18H,4-5,11-16H2
PubChem CID22727351
ChEMBLN/A
IUPHARN/A
BindingDB50112798
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1697.0 nMPMID11992769BindingDB

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