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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

NameCHEMBL2397476
Molecular formulaC23H30N4O
IUPAC nameN-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide
Molecular weight378.52
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50436537
Inchi KeyIDKIRFAIRCIGSS-HXUWFJFHSA-N
Inchi IDInChI=1S/C23H30N4O/c1-3-15-26(20-12-10-19(4-2)11-13-20)16-8-6-14-24-23(28)21-18-25-27-17-7-5-9-22(21)27/h2,5,7,9-10,17-18,20H,3,6,8,11-16H2,1H3,(H,24,28)/t20-/m1/s1
PubChem CID71734127
ChEMBLCHEMBL2397476
IUPHARN/A
BindingDB50436537
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Emax53.0 %PMID23730937ChEMBL
Emax59.0 %PMID23730937ChEMBL
Emax66.0 %PMID23730937ChEMBL
Emax73.0 %PMID23730937ChEMBL
Emax78.0 %PMID23730937ChEMBL
Ki1.1 nMPMID23730937BindingDB,ChEMBL
Ki7.8 nMPMID23730937BindingDB,ChEMBL
Ki14.0 nMPMID23730937BindingDB,ChEMBL
Selectivity Index1.26 -PMID23730937ChEMBL
Selectivity Index2.85 -PMID23730937ChEMBL

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