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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

NameEticlopride
Molecular formulaC17H25ClN2O3
IUPAC name5-chloro-3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
Molecular weight340.848
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.1
SynonymsFLB-131
PDSP1_001517
3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide(Eticlopride)
AB00514697
CAS-97612-24-3
[ Show all ]
Inchi KeyAADCDMQTJNYOSS-LBPRGKRZSA-N
Inchi IDInChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
PubChem CID57267
ChEMBLCHEMBL8946
IUPHAR966
BindingDB50007518
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID27933960BindingDB,ChEMBL
Ki0.086 nMPMID24848155BindingDB
Ki0.086 nMPMID24848155ChEMBL
Ki0.1 nMPMID9686407BindingDB
Ki0.26 nMPMID27933960BindingDB
Ki0.26 nMPMID27933960ChEMBL
Ki0.630957 nMPMID7907989, PMID8301592IUPHAR

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