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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

NameCHEMBL1258755
Molecular formulaC20H27N3O2
IUPAC name9-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
Molecular weight341.455
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.0
SynonymsAKYDPJMTCVQONP-UHFFFAOYSA-N
9-(1-Isopropyl-piperidin-4-yloxy)-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
BDBM50327471
SCHEMBL2978274
9-(1-isopropylpiperidin-4-yloxy)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indol-1-one
Inchi KeyAKYDPJMTCVQONP-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H27N3O2/c1-14(2)22-10-6-16(7-11-22)25-17-4-5-18-15(12-17)13-19-20(24)21-8-3-9-23(18)19/h4-5,12-14,16H,3,6-11H2,1-2H3,(H,21,24)
PubChem CID16679701
ChEMBLCHEMBL1258755
IUPHARN/A
BindingDB50327471
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition9.0 %PMID20801030ChEMBL

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