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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

NameCHEMBL524153
Molecular formulaC28H32N4O4
IUPAC nameN-[2-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,4-diazepan-1-yl]ethyl]-2-phenoxypyridine-3-carboxamide
Molecular weight488.588
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50263774
(S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1,4]diazepan-1-yl]-ethyl}-2-phenoxy-nicotinamide
Inchi KeyRNPCOHCWKNMBRI-QHCPKHFHSA-N
Inchi IDInChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m0/s1
PubChem CID25110718
ChEMBLCHEMBL524153
IUPHARN/A
BindingDB50263774
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity10.0 %PMID18799310ChEMBL

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