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 ●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
SpeciesHomo sapiens (Human)
GeneHRH2
SynonymHH2R
H2R
Gastric receptor I
H2 receptor
DiseaseUlcerative colitis
Pain
Peptic ulcer
Gastroesophageal reflux disease
Gastric ulcer
[ Show all ]
Length359
Amino acid sequenceMAPNGTASSFCLDSTACKITITVVLAVLILITVAGNVVVCLAVGLNRRLRNLTNCFIVSLAITDLLLGLLVLPFSAIYQLSCKWSFGKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVMDPLRYPVLVTPVRVAISLVLIWVISITLSFLSIHLGWNSRNETSKGNHTTSKCKVQVNEVYGLVDGLVTFYLPLLIMCITYYRIFKVARDQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEVLEAIVLWLGYANSALNPILYAALNRDFRTGYQQLFCCRLANRNSHKTSLRSNASQLSRTQSREPRQQEEKPLKLQVWSGTEVTAPQGATDR
UniProtP25021
Protein Data BankN/A
GPCR-HGmod modelP25021
3D structure modelThis predicted structure model is from GPCR-EXP P25021.
BioLiPN/A
Therapeutic Target DatabaseT30985
ChEMBLCHEMBL1941
IUPHAR263
DrugBankBE0000112

Ligand

NameCHEMBL1632411
Molecular formulaC15H19N3O
IUPAC name(NZ)-N-[1H-indol-2-yl-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
Molecular weight257.337
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.8
SynonymsN/A
Inchi KeyMQAUVLYNYCPXHD-ICFOKQHNSA-N
Inchi IDInChI=1S/C15H19N3O/c1-18-8-6-11(7-9-18)15(17-19)14-10-12-4-2-3-5-13(12)16-14/h2-5,10-11,16,19H,6-9H2,1H3/b17-15-
PubChem CID136192886
ChEMBLCHEMBL1632411
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
Ki<1000.0 nMPMID21044842ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417