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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

NameCHEMBL1945289
Molecular formulaC26H29N3O4S
IUPAC name4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[[(4-methoxyphenyl)methylamino]methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
Molecular weight479.595
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP2.8
SynonymsBDBM50419704
SCHEMBL1798462
Inchi KeyBSOHYTBASIBPHA-QHCPKHFHSA-N
Inchi IDInChI=1S/C26H29N3O4S/c1-33-20-7-5-18(6-8-20)14-28-15-19-4-2-3-17(13-19)11-12-27-16-23(31)21-9-10-22(30)24-25(21)34-26(32)29-24/h2-10,13,23,27-28,30-31H,11-12,14-16H2,1H3,(H,29,32)/t23-/m0/s1
PubChem CID24900750
ChEMBLCHEMBL1945289
IUPHARN/A
BindingDB50419704
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50794.0 nMPMID22079756BindingDB
IC50794.33 nMPMID22079756ChEMBL

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