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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

NameCHEMBL330142
Molecular formulaC26H37N5O7
IUPAC name(3R)-4-amino-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
Molecular weight531.61
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP1.5
SynonymsBDBM50026291
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoylamino}-succinamic acid
Inchi KeyDZCBXTWKCFKQPR-AABGKKOBSA-N
Inchi IDInChI=1S/C26H37N5O7/c1-14(2)10-19(23(35)29-18(22(27)34)12-21(32)33)30-24(36)20(31-25(37)38-26(3,4)5)11-15-13-28-17-9-7-6-8-16(15)17/h6-9,13-14,18-20,28H,10-12H2,1-5H3,(H2,27,34)(H,29,35)(H,30,36)(H,31,37)(H,32,33)/t18-,19+,20+/m1/s1
PubChem CID44326759
ChEMBLCHEMBL330142
IUPHARN/A
BindingDB50026291
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
IC5035000.0 nMPMID3973899BindingDB,ChEMBL

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