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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

NameCHEMBL329524
Molecular formulaC25H37N5O5
IUPAC nametert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight487.601
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP2.3
SynonymsBDBM50026294
[1-[1-(1-Carbamoyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester
Inchi KeyHKHAAIISQKVNDB-YSSFQJQWSA-N
Inchi IDInChI=1S/C25H37N5O5/c1-14(2)11-19(22(32)28-15(3)21(26)31)29-23(33)20(30-24(34)35-25(4,5)6)12-16-13-27-18-10-8-7-9-17(16)18/h7-10,13-15,19-20,27H,11-12H2,1-6H3,(H2,26,31)(H,28,32)(H,29,33)(H,30,34)/t15-,19-,20-/m0/s1
PubChem CID44326837
ChEMBLCHEMBL329524
IUPHARN/A
BindingDB50026294
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50150000.0 nMPMID3973899BindingDB,ChEMBL

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