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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

NameBDBM50060603
Molecular formulaC14H18N4O4S
IUPAC name(3S,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,7aR)-6-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-5-oxo-hexahydro-pyrrolo[2,1-b]thiazole-3-carboxylic acid amide
Inchi KeyCKWXMNDKAZLYMW-DUFLWWROSA-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 CID44346094
ChEMBLN/A
IUPHARN/A
BindingDB50060603
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki0.066 nMPMID9357526BindingDB
Ki0.067 nMPMID9357526BindingDB
Ki0.098 nMPMID9357526BindingDB
Ki0.14 nMPMID9357526BindingDB
Ki106.0 nMPMID9357526BindingDB
Ki122.0 nMPMID9357526BindingDB
Ki171.0 nMPMID9357526BindingDB
Ki183.0 nMPMID9357526BindingDB

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