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
SpeciesMus musculus (Mouse)
GeneHrh2
SynonymGastric receptor I
H2 receptor
H2R
HH2R
DiseaseN/A for non-human GPCRs
Length397
Amino acid sequenceMEPNGTVHSCCLDSIALKVTISVVLTTLIFITVAGNVVVCLAVSLNRRLRSLTNCFIVSLAATDLLLGLLVMPFSAIYQLSFKWSFGQVFCNIYTSLDVMLCTASILNLFMISLDRYCAVTDPLRYPVLVTPVRVAISLVFIWVISITLSFLSIHLGWNSRNGTRGGNDTFKCKVQVNEVYGLVDGMVTFYLPLLIMCVTYYRIFKIAREQAKRINHISSWKAATIREHKATVTLAAVMGAFIVCWFPYFTAFVYRGLRGDDAVNEVVEGIVLWLGYANSALNPILYATLNRDFRMAYQQLFHCKLASHNSHKTSLRLNNSLLSRSQSREGRWQEEKPLKLQVWSGTELTHPQGSPVRTRLSHSSCLLSLSLLSFIWKLGTWIHHRRPFQPSLHISA
UniProtP97292
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2245
IUPHARN/A
DrugBankN/A

Ligand

NameHexanamide, N-[2-(1H-imidazol-5-yl)ethyl]-
Molecular formulaC11H19N3O
IUPAC nameN-[2-(1H-imidazol-5-yl)ethyl]hexanamide
Molecular weight209.293
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP1.6
Synonyms103827-10-7
CHEMBL67282
AKOS013498551
Inchi KeyPOWCEFXIBWGZIW-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H19N3O/c1-2-3-4-5-11(15)13-7-6-10-8-12-9-14-10/h8-9H,2-7H2,1H3,(H,12,14)(H,13,15)
PubChem CID13974561
ChEMBLCHEMBL67282
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Relative potency0.0 -PMID2959777ChEMBL

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