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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

NameCHEMBL332740
Molecular formulaC15H24N4O4
IUPAC name(2S)-2-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-amino-2-oxoethyl)-4-methylpentanamide
Molecular weight324.381
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP-0.4
Synonyms(S)-2-[[(8aS)-Octahydro-1,4-dioxopyrrolo[1,2-a]pyrazin]-2-yl]-4-methyl-N-(2-amino-2-oxoethyl)pentanamide
(S)-2-((S)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-pentanoic acid carbamoylmethyl-amide
BDBM50060600
Inchi KeyDNVVWPSQSKLWQF-QWRGUYRKSA-N
Inchi IDInChI=1S/C15H24N4O4/c1-9(2)6-11(14(22)17-7-12(16)20)19-8-13(21)18-5-3-4-10(18)15(19)23/h9-11H,3-8H2,1-2H3,(H2,16,20)(H,17,22)/t10-,11-/m0/s1
PubChem CID10663749
ChEMBLCHEMBL332740
IUPHARN/A
BindingDB50060600
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki0.068 nMPMID9357526ChEMBL
Ki0.068 nMPMID9357526BindingDB
Ki0.08 nMPMID9357526BindingDB
Ki0.08 nMPMID9357526ChEMBL
Ki0.12 nMPMID9357526ChEMBL
Ki0.12 nMPMID9357526BindingDB
Ki91.0 nMPMID9357526BindingDB,ChEMBL
Ki104.0 nMPMID9357526BindingDB,ChEMBL
Ki120.0 nMPMID9357526BindingDB,ChEMBL
Ki172.0 nMPMID9357526BindingDB,ChEMBL
Ratio0.257 -PMID9357526ChEMBL
Ratio1.35 -PMID9357526ChEMBL
Ratio1.47 -PMID9357526ChEMBL
Ratio1.97 -PMID9357526ChEMBL
RH18.75 %PMID9357526ChEMBL
RH56.25 %PMID9357526ChEMBL
RH59.25 %PMID9357526ChEMBL
RH63.75 %PMID9357526ChEMBL
RL36.25 %PMID9357526ChEMBL
RL40.75 %PMID9357526ChEMBL
RL43.75 %PMID9357526ChEMBL
RL81.25 %PMID9357526ChEMBL

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