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GPCR

NameHistamine H2 receptor
SpeciesRattus norvegicus (Rat)
GeneHrh2
Synonymgastric receptor I
H2 receptor
H2R
HH2R
DiseaseN/A for non-human GPCRs
Length358
Amino acid sequenceMEPNGTVHSCCLDSMALKVTISVVLTTLILITIAGNVVVCLAVSLNRRLRSLTNCFIVSLAATDLLLGLLVLPFSAIYQLSFTWSFGHVFCNIYTSLDVMLCTASILNLFMISLDRYCAVTDPLRYPVLVTPVRVAISLVFIWVISITLSFLSIHLGWNSRNGTRGGNDTFKCKVQVNEVYGLVDGLVTFYLPLLIMCVTYYRIFKIAREQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEAVEGIVLWLGYANSALNPILYAALNRDFRTAYQQLFHCKFASHNSHKTSLRLNNSLLPRSQSREGRWQEEKPLKLQVWSGTELTHPQGNPIR
UniProtP25102
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4654
IUPHAR263
DrugBankN/A

Ligand

NameCHEMBL95063
Molecular formulaC25H33N5O7
IUPAC name(3S)-4-amino-3-[[(2S)-1-[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
Molecular weight515.567
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP1.2
SynonymsBDBM50026293
3-({1-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionyl]-pyrrolidine-2-carbonyl}-amino)-succinamic acid
Inchi KeyKCZPYRUXPDHPJX-FHWLQOOXSA-N
Inchi IDInChI=1S/C25H33N5O7/c1-25(2,3)37-24(36)29-18(11-14-13-27-16-8-5-4-7-15(14)16)23(35)30-10-6-9-19(30)22(34)28-17(21(26)33)12-20(31)32/h4-5,7-8,13,17-19,27H,6,9-12H2,1-3H3,(H2,26,33)(H,28,34)(H,29,36)(H,31,32)/t17-,18-,19-/m0/s1
PubChem CID44326909
ChEMBLCHEMBL95063
IUPHARN/A
BindingDB50026293
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50100000.0 nMPMID3973899BindingDB,ChEMBL

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