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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

NameCHEMBL559164
Molecular formulaC20H22FNO
IUPAC name(1R,2R)-5-fluoro-6-methoxy-N-methyl-1-phenyl-N-prop-2-enyl-2,3-dihydro-1H-inden-2-amine
Molecular weight311.4
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.5
SynonymsCHEMBL1197038
Allyl-((1R,2R)-5-fluoro-6-methoxy-1-phenyl-indan-2-yl)-methyl-amine; hydrochloride
BDBM50164587
Inchi KeyBAUQGQAEHJLCHX-UYAOXDASSA-N
Inchi IDInChI=1S/C20H22FNO/c1-4-10-22(2)18-12-15-11-17(21)19(23-3)13-16(15)20(18)14-8-6-5-7-9-14/h4-9,11,13,18,20H,1,10,12H2,2-3H3/t18-,20-/m1/s1
PubChem CID11210215
ChEMBLN/A
IUPHARN/A
BindingDB50164587
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki640.0 nMPMID15801855BindingDB

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