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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

NameCHEMBL225571
Molecular formulaC26H34N4O3
IUPAC name6-[4-(2-nitrophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
Molecular weight450.583
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM21373
Piperazinehexanamide derivative, 11
6-[4-(2-nitrophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
Inchi KeyZBUOQRCOVPVZEE-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N4O3/c31-26(27-23-12-8-10-21-9-3-4-11-22(21)23)15-2-1-7-16-28-17-19-29(20-18-28)24-13-5-6-14-25(24)30(32)33/h3-6,9,11,13-14,23H,1-2,7-8,10,12,15-20H2,(H,27,31)
PubChem CID11329254
ChEMBLCHEMBL225571
IUPHARN/A
BindingDB21373
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki681.0 nMPMID17649988BindingDB,ChEMBL

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