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GPCR

NameD(2) dopamine receptor
SpeciesBos taurus (Bovine)
GeneDRD2
SynonymDopamine D2 receptor
DiseaseN/A for non-human GPCRs
Length444
Amino acid sequenceMDPLNLSWYDDDPESRNWSRPFNGSEGKADRPPYNYYAMLLTLLIFVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPMLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTKRSSRAFRANLKAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTPDSPAKPEKNGHAKTVNPKIAKIFEIQSMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC
UniProtP20288
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3998
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL607228
Molecular formulaC14H18N4O4S
IUPAC name(3S,6R,7aR)-6-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-5-oxo-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazole-3-carboxamide
Molecular weight338.382
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP-1.2
Synonyms(3S,7aalpha)-5-Oxo-6alpha-[[(8aS)-octahydro-1,4-dioxopyrrolo[1,2-a]pyrazin]-2-yl]hexahydropyrrolo[2,1-b]thiazole-3alpha-carboxamide
Inchi KeyCKWXMNDKAZLYMW-YSSBGUOXSA-N
Inchi IDInChI=1S/C14H18N4O4S/c15-12(20)9-6-23-11-4-8(14(22)18(9)11)17-5-10(19)16-3-1-2-7(16)13(17)21/h7-9,11H,1-6H2,(H2,15,20)/t7-,8+,9+,11+/m0/s1
PubChem CID10246513
ChEMBLCHEMBL607228
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki0.066 nMPMID9357526ChEMBL
Ki0.067 nMPMID9357526ChEMBL
Ki0.098 nMPMID9357526ChEMBL
Ki0.14 nMPMID9357526ChEMBL
Ki106.0 nMPMID9357526ChEMBL
Ki122.0 nMPMID9357526ChEMBL
Ki171.0 nMPMID9357526ChEMBL
Ki183.0 nMPMID9357526ChEMBL
Ratio0.225 -PMID9357526ChEMBL
Ratio0.96 -PMID9357526ChEMBL
Ratio0.985 -PMID9357526ChEMBL
Ratio1.363 -PMID9357526ChEMBL
RH18.5 %PMID9357526ChEMBL
RH49.0 %PMID9357526ChEMBL
RH49.25 %PMID9357526ChEMBL
RH57.25 %PMID9357526ChEMBL
RL42.75 %PMID9357526ChEMBL
RL50.75 %PMID9357526ChEMBL
RL51.0 %PMID9357526ChEMBL
RL81.5 %PMID9357526ChEMBL

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