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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

NameCHEMBL3740778
Molecular formulaC25H29ClF3N7O2S
IUPAC name2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-[2-[4-(4-chloro-1H-indol-5-yl)piperazin-1-yl]ethyl]amino]acetonitrile;2,2,2-trifluoroacetic acid
Molecular weight584.059
Hydrogen bond acceptor12
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyDBPJWAZLNMDUCJ-NTISSMGPSA-N
Inchi IDInChI=1S/C23H28ClN7S.C2HF3O2/c24-22-17-5-7-27-18(17)3-4-20(22)31-13-10-29(11-14-31)9-12-30(8-6-25)16-1-2-19-21(15-16)32-23(26)28-19;3-2(4,5)1(6)7/h3-5,7,16,27H,1-2,8-15H2,(H2,26,28);(H,6,7)/t16-;/m0./s1
PubChem CID127042371
ChEMBLCHEMBL3740778
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
EC5021.6 nMPMID26555041ChEMBL
EC50423.0 nMPMID26555041ChEMBL
EC503930.0 nMPMID26555041ChEMBL
Emax26.7 %PMID26555041ChEMBL
Ke20.9 nMPMID26555041ChEMBL
Ke29.0 nMPMID26555041ChEMBL
Ke37.2 nMPMID26555041ChEMBL

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