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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

NameCHEMBL1256170
Molecular formulaC41H45NO
IUPAC name1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4-[4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperidin-1-yl]butan-1-one
Molecular weight567.817
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP9.2
Synonyms4-[4-([2.2]Paracyclophan-4-yl)piperazin-1-yl]-1-([2.2]paracyclophan-4-yl)butan-1-one
BDBM50328453
Inchi KeyAADWBQLQKGQDIM-UHFFFAOYSA-N
Inchi IDInChI=1S/C41H45NO/c43-41(40-29-35-14-12-31-5-9-33(10-6-31)16-20-37(40)22-18-35)2-1-25-42-26-23-38(24-27-42)39-28-34-13-11-30-3-7-32(8-4-30)15-19-36(39)21-17-34/h3-10,17-18,21-22,28-29,38H,1-2,11-16,19-20,23-27H2
PubChem CID52947756
ChEMBLCHEMBL1256170
IUPHARN/A
BindingDB50328453
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki17.0 nMPMID20839776BindingDB,ChEMBL
Ki30.0 nMPMID20839776BindingDB,ChEMBL

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