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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

NameCHEMBL325818
Molecular formulaC24H25BrN2O2
IUPAC nameN-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide
Molecular weight453.38
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50132698
N-[[(3S)-1-Benzyl-3alpha-pyrrolidinyl]methyl]-1-methoxy-4-bromonaphthalene-2-carboxamide
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid ((S)-1-benzyl-pyrrolidin-3-ylmethyl)-amide
Inchi KeyCNAWUGXPLJMOSN-SFHVURJKSA-N
Inchi IDInChI=1S/C24H25BrN2O2/c1-29-23-20-10-6-5-9-19(20)22(25)13-21(23)24(28)26-14-18-11-12-27(16-18)15-17-7-3-2-4-8-17/h2-10,13,18H,11-12,14-16H2,1H3,(H,26,28)/t18-/m0/s1
PubChem CID44340376
ChEMBLCHEMBL325818
IUPHARN/A
BindingDB50132698
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki420.0 nMPMID12951112BindingDB,ChEMBL
Ki640.0 nMPMID12951112BindingDB,ChEMBL
Ki870.0 nMPMID12951112BindingDB,ChEMBL
Ki1300.0 nMPMID12951112BindingDB,ChEMBL

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