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GPCR

NameHistamine H2 receptor
SpeciesHomo sapiens (Human)
GeneHRH2
SynonymHH2R
H2R
Gastric receptor I
H2 receptor
DiseaseUlcerative colitis
Pain
Peptic ulcer
Gastroesophageal reflux disease
Gastric ulcer
[ Show all ]
Length359
Amino acid sequenceMAPNGTASSFCLDSTACKITITVVLAVLILITVAGNVVVCLAVGLNRRLRNLTNCFIVSLAITDLLLGLLVLPFSAIYQLSCKWSFGKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVMDPLRYPVLVTPVRVAISLVLIWVISITLSFLSIHLGWNSRNETSKGNHTTSKCKVQVNEVYGLVDGLVTFYLPLLIMCITYYRIFKVARDQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEVLEAIVLWLGYANSALNPILYAALNRDFRTGYQQLFCCRLANRNSHKTSLRSNASQLSRTQSREPRQQEEKPLKLQVWSGTEVTAPQGATDR
UniProtP25021
Protein Data BankN/A
GPCR-HGmod modelP25021
3D structure modelThis predicted structure model is from GPCR-EXP P25021.
BioLiPN/A
Therapeutic Target DatabaseT30985
ChEMBLCHEMBL1941
IUPHAR263
DrugBankBE0000112

Ligand

Namehistamine
Molecular formulaC5H9N3
IUPAC name2-(1H-imidazol-5-yl)ethanamine
Molecular weight111.148
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP-0.7
Synonyms.beta.-Imidazolyl-4-ethylamine
65592-96-3
1H-Imidazole-4-ethanamine
AC1L19ZT
2-(1H-imidazol-5-yl)ethanamine
[ Show all ]
Inchi KeyNTYJJOPFIAHURM-UHFFFAOYSA-N
Inchi IDInChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
PubChem CID774
ChEMBLCHEMBL90
IUPHAR1247, 1204
BindingDB7966, 50121205
DrugBankDB05381

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
EC50463.0 nMPMID12723960BindingDB,ChEMBL
EC50650.0 nMPMID16942032BindingDB,ChEMBL
EC501200.0 nMPMID18950149BindingDB,ChEMBL
EC501202.0 nMPMID19317445BindingDB
EC501202.26 nMPMID19317445, MedChemComm, (2014) 5:1:72, PMID19791743BindingDB,ChEMBL
EC501258.93 nMPMID22216892, PMID20409707BindingDB,ChEMBL
Emax1.0 %PMID20409707ChEMBL
Ki<10000.0 nMPMID15033391PDSP,BindingDB
Ki1200.0 nMPMID16554355BindingDB
Ki5000.0 nMPMID25993395BindingDB,ChEMBL
Ki50118.7 nMPMID21044842ChEMBL
Ki2.51189e+13 nMPMID7830269ChEMBL
Ratio1.0 -PMID3806596ChEMBL

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