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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

Name158985-00-3
Molecular formulaC18H19ClN4
IUPAC name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight326.828
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.4
SynonymsNCGC00015588-05
Tocris-1002
3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo(2,3-b)pyridine
API0003103
CCG-204875
[ Show all ]
Inchi KeyOGJGQVFWEPNYSB-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
PubChem CID5311200
ChEMBLCHEMBL267014
IUPHAR3303
BindingDB85093
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity20.0 %PMID15084133ChEMBL
EC5027.0 nMPMID11844688BindingDB,ChEMBL
EC502230.0 nMPMID15084133BindingDB,ChEMBL
IC501.0 nMPMID9873481BindingDB
IC505.0 nMPMID9873481BindingDB
Intrinsic activity24.0 %PMID11844688ChEMBL
Ki0.39 nMPMID8642550IUPHAR
Ki0.4 nMPMID15084133BindingDB,ChEMBL
Ki0.43 nMPMID19155177PDSP
Ki0.43 nMPMID11378358, PMID15501032, PMID10098669BindingDB
Ki0.43 nMPMID11170639, PMID9822559, PMID19155177, PMID8642550, PMID11378358, PMID10098669BindingDB,ChEMBL
Ki0.43 nMPMID11170639BindingDB
Ki0.6 nMPMID9990464ChEMBL
Ki0.6 nMPMID9990464BindingDB
Ki0.6166 nMPMID17266201ChEMBL
Ki0.62 nMPMID11844688, PMID19481941ChEMBL
Ki0.62 nMPMID11844688BindingDB
Ki0.91 nMPMID10602703, PMID9873377BindingDB,ChEMBL
Ki0.91 nMPMID9873377BindingDB
Ki1.8 nMPMID16135699PDSP,BindingDB
Ki11.7 nMPMID9223553BindingDB
Log Ki9.21 D4PMID11312915ChEMBL

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