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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

NameCHEMBL1790763
Molecular formulaC26H37N5O7
IUPAC name(3S)-4-amino-3-[[(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid
Molecular weight531.61
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP1.5
SynonymsBDBM50367238
Inchi KeyBRPNCKHBZGUTPH-KKTRPPJXSA-N
Inchi IDInChI=1S/C26H37N5O7/c1-6-14(2)21(24(36)29-18(22(27)34)12-20(32)33)31-23(35)19(30-25(37)38-26(3,4)5)11-15-13-28-17-10-8-7-9-16(15)17/h7-10,13-14,18-19,21,28H,6,11-12H2,1-5H3,(H2,27,34)(H,29,36)(H,30,37)(H,31,35)(H,32,33)/t14-,18-,19-,21-/m0/s1
PubChem CID56664854
ChEMBLCHEMBL1790763
IUPHARN/A
BindingDB50367238
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5050000.0 nMPMID3973899BindingDB,ChEMBL

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