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GPCR

NameD(2) dopamine receptor
SpeciesRattus norvegicus (Rat)
GeneDrd2
SynonymD2 receptor
D2(415) and D2(444)
D2A and D2B
D2R
Dopamine D2 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length444
Amino acid sequenceMDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPDSPAKPEKNGHAKIVNPRIAKFFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFMKILHC
UniProtP61169
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL339
IUPHAR215
DrugBankN/A

Ligand

NameRoxindole
Molecular formulaC23H26N2O
IUPAC name3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
Molecular weight346.474
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.6
Synonyms108050-82-4 (mono HCL)
3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
BDBM50002173
DSSTox_RID_80082
PDSP2_001376
[ Show all ]
Inchi KeyHGEYJZMMUGWEOT-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
PubChem CID219050
ChEMBLCHEMBL431367
IUPHAR52
BindingDB50002173
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
ED500.074 mg.kg-1PMID1359142ChEMBL
ED500.12 mg.kg-1PMID1359142ChEMBL
IC505.6 nMPMID15341483BindingDB,ChEMBL
IC505.95 nMPMID1359142BindingDB,ChEMBL
Ki0.88 nMPMID1359142ChEMBL
Ki0.88 nMPMID1359142BindingDB
Ki9.1 nMPMID8759640BindingDB,ChEMBL
Ki14.0 nMPMID9003524BindingDB,ChEMBL

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