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GPCR

NameD(2) dopamine receptor
SpeciesHomo sapiens (Human)
GeneDRD2
Synonymdopamine receptor 2
Dopamine D2 receptor
D2R
D2A and D2B
D2(415) and D2(444)
[ Show all ]
DiseaseSubstance dependence
Major depressive disorder
Maintain blood pressure in hypotensive states
Insomnia
Inflammatory disease
[ Show all ]
Length443
Amino acid sequenceMDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTKRSSRAFRAHLRAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTPDSPAKPEKNGHAKDHPKIAKIFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC
UniProtP14416
Protein Data Bank6cm4, 6c38
GPCR-HGmod modelP14416
3D structure modelThis structure is from PDB ID 6cm4.
BioLiPBL0408379, BL0403379
Therapeutic Target DatabaseT67162
ChEMBLCHEMBL217
IUPHAR215
DrugBankBE0000756

Ligand

NameMoperone
Molecular formulaC22H26FNO2
IUPAC name1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]butan-1-one
Molecular weight355.453
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.0
SynonymsMoperonum
p-Fluoro-4-(4'-hydroxy-4'-p-tolylpiperidino)butyrophenone
1-Butanone, 1-(4-fluorophenyl)-4-(4-hydroxy-4-(4-methylphenyl)-1-piperidinyl)-
AGAHNABIDCTLHW-UHFFFAOYSA-N
CTK8G1178
[ Show all ]
Inchi KeyAGAHNABIDCTLHW-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3
PubChem CID4249
ChEMBLN/A
IUPHARN/A
BindingDB81486
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki0.7 nMPMID16135699PDSP,BindingDB
Ki1.0 nMPMID16135699PDSP,BindingDB
Ki1.8 nMPMID9577836PDSP,BindingDB

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