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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

NameCHEMBL558838
Molecular formulaC21H28N6O
IUPAC name5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Molecular weight380.496
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50295930
N,N,6-Trimethyl-5-[[4-(2-methoxyphenyl)piperazino]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2-amine
5-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Inchi KeyADAZZWTYEBRRHE-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H28N6O/c1-15-17(16-13-22-21(25(2)3)24-20(16)23-15)14-26-9-11-27(12-10-26)18-7-5-6-8-19(18)28-4/h5-8,13H,9-12,14H2,1-4H3,(H,22,23,24)
PubChem CID16121920
ChEMBLCHEMBL558838
IUPHARN/A
BindingDB50295930
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity80.0 %PMID19481941ChEMBL
Ki6.4 nMPMID19481941ChEMBL

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