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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

NameCHEMBL2443008
Molecular formulaC29H38FN5O7
IUPAC name(2R,3S,4S,5R)-5-fluoro-2-(hydroxymethyl)-6-[3-[4-[4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]triazol-1-yl]phenoxy]propoxy]oxane-3,4-diol
Molecular weight587.649
Hydrogen bond acceptor12
Hydrogen bond donor3
XlogP1.9
SynonymsBDBM50442748
Inchi KeyUYUTUOIZGIGQQA-VIVFLBMVSA-N
Inchi IDInChI=1S/C29H38FN5O7/c1-39-24-6-3-2-5-23(24)34-13-11-33(12-14-34)17-20-18-35(32-31-20)21-7-9-22(10-8-21)40-15-4-16-41-29-26(30)28(38)27(37)25(19-36)42-29/h2-3,5-10,18,25-29,36-38H,4,11-17,19H2,1H3/t25-,26-,27-,28-,29?/m1/s1
PubChem CID72544787
ChEMBLCHEMBL2443008
IUPHARN/A
BindingDB50442748
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.

Experimental Data

ParameterValueReferenceDatabase source
Ki32.0 nMPMID24100078ChEMBL

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