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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

NameCHEMBL3764191
Molecular formulaC21H23F3N4OS2
IUPAC name4-[3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-[4-(trifluoromethyl)phenyl]morpholine
Molecular weight468.557
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50139866
SCHEMBL18741893
Inchi KeyAGPVWRLINFFKSF-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23F3N4OS2/c1-27-19(16-7-12-30-14-16)25-26-20(27)31-11-2-8-28-9-10-29-18(13-28)15-3-5-17(6-4-15)21(22,23)24/h3-7,12,14,18H,2,8-11,13H2,1H3
PubChem CID127041673
ChEMBLCHEMBL3764191
IUPHARN/A
BindingDB50139866
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki7943.0 nMPMID26786693BindingDB
Ki7943.28 nMPMID26786693ChEMBL

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