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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

NameCHEMBL108856
Molecular formulaC24H19ClN4OS
IUPAC name3-[4-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylmethyl]phenyl]-5-methyl-1,2,4-oxadiazole
Molecular weight446.953
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.3
Synonyms1-(4-Chloro-benzyl)-2-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)-benzylsulfanyl]-1H-benzoimidazole
BDBM50147367
Inchi KeyBDYFUDKVHWMALQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H19ClN4OS/c1-16-26-23(28-30-16)19-10-6-18(7-11-19)15-31-24-27-21-4-2-3-5-22(21)29(24)14-17-8-12-20(25)13-9-17/h2-13H,14-15H2,1H3
PubChem CID9981035
ChEMBLCHEMBL108856
IUPHARN/A
BindingDB50147367
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki96.0 nMPMID15149674BindingDB,ChEMBL

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