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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

NameCHEMBL96792
Molecular formulaC16H20ClN3O3
IUPAC name5-chloro-4-(cyclopropanecarbonylamino)-2-methoxy-N-[(3S)-pyrrolidin-3-yl]benzamide
Molecular weight337.804
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP1.2
Synonyms5-Chloro-2-methoxy-4-[(cyclopropylcarbonyl)amino]-N-[(3S)-3-pyrrolidinyl]benzamide
BDBM50052198
5-Chloro-4-(cyclopropanecarbonyl-amino)-2-methoxy-N-(S)-pyrrolidin-3-yl-benzamide
Inchi KeyBPOPGHCAIIZXBN-JTQLQIEISA-N
Inchi IDInChI=1S/C16H20ClN3O3/c1-23-14-7-13(20-15(21)9-2-3-9)12(17)6-11(14)16(22)19-10-4-5-18-8-10/h6-7,9-10,18H,2-5,8H2,1H3,(H,19,22)(H,20,21)/t10-/m0/s1
PubChem CID10830804
ChEMBLCHEMBL96792
IUPHARN/A
BindingDB50052198
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2200.0 nMPMID8709107BindingDB,ChEMBL

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