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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

NameCHEMBL28056
Molecular formulaC25H22N2
IUPAC name2-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]-3-methylbenzonitrile
Molecular weight350.465
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP5.2
Synonyms(6aR,aS)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile
BDBM50098549
(6aR)-11-(2-Cyano-6-methylphenyl)-4,5,6a,7-tetrahydro-6-methyl-6H-dibenzo[de,g]quinoline
3-Methyl-2-((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile
(6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile
Inchi KeyAPEZAWGOFKUHCA-JOCHJYFZSA-N
Inchi IDInChI=1S/C25H22N2/c1-16-6-3-9-19(15-26)23(16)20-10-5-8-18-14-22-25-17(12-13-27(22)2)7-4-11-21(25)24(18)20/h3-11,22H,12-14H2,1-2H3/t22-/m1/s1
PubChem CID11725453
ChEMBLCHEMBL28056
IUPHARN/A
BindingDB50098549
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki498.0 nMPMID11311055BindingDB
Ki498.0 nMPMID11311055ChEMBL
Ki2470.0 nMPMID11311055BindingDB,ChEMBL

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