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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

NameCHEMBL99085
Molecular formulaC13H14Cl2N2S
IUPAC name11,13-dichloro-3-propyl-12-thia-3,4-diazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,10-tetraene
Molecular weight301.229
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP5.2
Synonyms7,9-Dichloro-1-propyl-1,4,5,6-tetrahydro-8-thia-1,2-diaza-cyclopenta[e]azulene
1-Propyl-7,9-dichloro-1,4,5,6-tetrahydro-1,2-diaza-8-thia-8H-cyclopenta[e]azulene
BDBM50135733
Inchi KeyAUVDDIGUWXARSE-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H14Cl2N2S/c1-2-6-17-11-8(7-16-17)4-3-5-9-10(11)13(15)18-12(9)14/h7H,2-6H2,1H3
PubChem CID44330585
ChEMBLCHEMBL99085
IUPHARN/A
BindingDB50135733
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki3548.0 nMPMID14611858ChEMBL
Ki3548.0 nMPMID14611858BindingDB

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