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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

NameCHEMBL1077862
Molecular formulaC10H16N6
IUPAC name1-cyano-3-[4-(1H-imidazol-5-yl)butyl]-2-methylguanidine
Molecular weight220.28
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP0.0
SynonymsGuanidine, N-cyano-N'-[4-(1H-imidazol-4-yl)butyl]-N''-methyl-
BDBM50415657
CTK1G2796
Guanidine, N-cyano-N'-[4-(1H-imidazol-5-yl)butyl]-N''-methyl-
DTXSID90475147
[ Show all ]
Inchi KeySESBNJZEWNWYQM-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H16N6/c1-12-10(15-7-11)14-5-3-2-4-9-6-13-8-16-9/h6,8H,2-5H2,1H3,(H,13,16)(H2,12,14,15)
PubChem CID11983344
ChEMBLCHEMBL1077862
IUPHARN/A
BindingDB50415657
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
pKb>5.0 -PMID19791743ChEMBL

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