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GPCR

NameHistamine H2 receptor
SpeciesCavia porcellus (Guinea pig)
GeneHRH2
SynonymGastric receptor I
H2R
HH2R
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMAFNGTVPSFCMDFTVYKVTISVILIILILVTVAGNVVVCLAVGLNRRLRSLTNCFIVSLAVTDLLLGLLVLPFSAIYQLSCKWSFSKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVTDPLRYPVLITPARVAISLVFIWVISITLSFLSIHLGWNSRNETSKDNDTIVKCKVQVNEVYGLVDGLVTFYLPLLIMCITYFRIFKIAREQARRINHIGSWKAATIREHKATVTLAAVMGAFIICWFPYFTVFVYRGLKGDDAVNEVFEDVVLWLGYANSALNPILYAALNRDFRTAYHQLFCCRLASHNSHETSLRLNNSQLNRSQCQEPRWQEDKPLNLQVWSGTEVTAPQGATNR
UniProtP47747
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2882
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL16496
Molecular formulaC14H16IN3O2
IUPAC name3-(1H-imidazol-5-yl)propyl N-[(4-iodophenyl)methyl]carbamate
Molecular weight385.205
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.6
Synonyms(4-Iodo-benzyl)-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
BDBM50050183
4-Iodobenzylcarbamic acid 3-(1H-imidazol-4-yl)propyl ester
Inchi KeyBUCKBBFABVVKHW-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H16IN3O2/c15-12-5-3-11(4-6-12)8-17-14(19)20-7-1-2-13-9-16-10-18-13/h3-6,9-10H,1-2,7-8H2,(H,16,18)(H,17,19)
PubChem CID10833949
ChEMBLCHEMBL16496
IUPHARN/A
BindingDB50050183
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
-Log KB4.5 -PMID8632428ChEMBL
Ki31622.8 nMPMID8676353BindingDB,ChEMBL

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