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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

NameCHEMBL210461
Molecular formulaC31H35Cl2N3O
IUPAC nameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide
Molecular weight536.541
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP7.3
SynonymsN-[4-(4-(2,3-dichlorophenyl)piperazin-1-yl]butyl][2.2]-paracyclophane-4-carboxamide
BDBM50188478
Inchi KeyACKGCCXJFAZCFF-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H35Cl2N3O/c32-28-4-3-5-29(30(28)33)36-20-18-35(19-21-36)17-2-1-16-34-31(37)27-22-25-11-10-23-6-8-24(9-7-23)12-14-26(27)15-13-25/h3-9,13,15,22H,1-2,10-12,14,16-21H2,(H,34,37)
PubChem CID11706497
ChEMBLCHEMBL210461
IUPHARN/A
BindingDB50188478
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
Ki140.0 nMPMID16759104BindingDB,ChEMBL
Ki220.0 nMPMID16759104BindingDB,ChEMBL

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