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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

NameCHEMBL168541
Molecular formulaC21H24N4O
IUPAC name(4S)-2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydro-1H-pyrimidin-6-one
Molecular weight348.45
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.3
Synonyms(6S)-2-Phenyl-6beta-(4-phenylpiperazinomethyl)-3,4,5,6-tetrahydropyrimidine-4-one
BDBM50124196
(S)-2-Phenyl-6-(4-phenyl-piperazin-1-ylmethyl)-5,6-dihydro-3H-pyrimidin-4-one
Inchi KeyDKXYPAWNMBQJBN-SFHVURJKSA-N
Inchi IDInChI=1S/C21H24N4O/c26-20-15-18(22-21(23-20)17-7-3-1-4-8-17)16-24-11-13-25(14-12-24)19-9-5-2-6-10-19/h1-10,18H,11-16H2,(H,22,23,26)/t18-/m0/s1
PubChem CID44381276
ChEMBLCHEMBL168541
IUPHARN/A
BindingDB50124196
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki6400.0 nMPMID12617906BindingDB,ChEMBL
Ki18000.0 nMPMID12617906BindingDB,ChEMBL

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