Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

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

Namehistamine
Molecular formulaC5H9N3
IUPAC name2-(1H-imidazol-5-yl)ethanamine
Molecular weight111.148
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP-0.7
SynonymsSCHEMBL2279
BDBM7966
Histaminum (TN)
2631-EP2277565A2
Spectrum5_000796
[ Show all ]
Inchi KeyNTYJJOPFIAHURM-UHFFFAOYSA-N
Inchi IDInChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
PubChem CID774
ChEMBLCHEMBL90
IUPHAR1247, 1204
BindingDB7966, 50121205
DrugBankDB05381

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity1.0 -PMID1967317ChEMBL
Activity100.0 -PMID1967317ChEMBL
EC501000.0 nMPMID22216892, PMID18950149, PMID19317445, MedChemComm, (2014) 5:1:72, PMID20409707BindingDB,ChEMBL
EC501200.0 nMPMID18950149BindingDB,ChEMBL
EC501202.26 nMPMID22216892, PMID20409707BindingDB,ChEMBL
Emax1.0 %PMID20409707ChEMBL
Emax100.0 %PMID20409707ChEMBL
Intrinsic activity1.0 -PMID1507209, PMID1280301, PMID7731015ChEMBL
Kd69183.0 nMPMID1507209BindingDB
Kd69183.1 nMPMID1507209ChEMBL
Ki<10000.0 nMPMID6135157PDSP,BindingDB
Ki100.0 nMPMID1321744PDSP,BindingDB
Ki1200.0 nMPMID16554355BindingDB
pD25.81 -PMID3806596ChEMBL
pD25.88 -PMID3806596ChEMBL
pD25.89 -PMID3806596ChEMBL
pD25.95 -PMID1967317ChEMBL
pD26.1 -PMID10197956ChEMBL
pD26.14 -Bioorg. Med. Chem. Lett., (1994) 4:16:1913, PMID1507209ChEMBL
Relative potency1.0 -PMID2959777ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218