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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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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

NameDIHYDREXIDINE
Molecular formulaC17H17NO2
IUPAC name(6aR,12bS)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol
Molecular weight267.328
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.5
Synonyms(+)-Dihydrexidine
UNII-Q3PJ4B4D0X
Q3PJ4B4D0X
CHEMBL25856
Dihydrexidine hydrochloride
[ Show all ]
Inchi KeyBGOQGUHWXBGXJW-RHSMWYFYSA-N
Inchi IDInChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
PubChem CID6603820
ChEMBLCHEMBL25856
IUPHARN/A
BindingDB50010686
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5070.0 nMPMID17154515BindingDB,ChEMBL
IC5087.7 nMPMID7914538ChEMBL
IC50107.0 nMPMID7830274BindingDB,ChEMBL
IC50120.0 nMPMID1971308BindingDB,ChEMBL
IC50132.0 nMPMID7914538BindingDB,ChEMBL
IC501250.0 nMPMID7914538BindingDB,ChEMBL
Intrinsic activity70.0 nMPMID17154515ChEMBL
K 0.558.1 nMPMID10072690ChEMBL
K 0.51490.0 nMPMID10072690ChEMBL
K0.529.0 nMPMID7608904ChEMBL
K0.543.2 nMPMID8558526ChEMBL
K0.543.8 nMPMID8568818, PMID9216832ChEMBL
K0.558.1 nMPMID7636869ChEMBL
Kd2300.0 nMPMID10956209BindingDB,ChEMBL
Kd2500.0 nMPMID10956209BindingDB,ChEMBL
Kd3500.0 nMPMID10956209BindingDB,ChEMBL
Kd13000.0 nMPMID10956209BindingDB,ChEMBL
Ki1400.0 nMPMID9171869BindingDB,ChEMBL

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