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:

Ligand

NameCHEMBL1077861
Molecular formulaC9H14N6
IUPAC name1-cyano-2-[4-(1H-imidazol-5-yl)butyl]guanidine
Molecular weight206.253
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP0.0
Synonyms1192560-01-2
BDBM50415656
2-Cyano-1-[4-(1H-imidazol-4-yl)butyl]guanidine
Inchi KeyBDBQKEQJJZXSDB-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H14N6/c10-6-14-9(11)13-4-2-1-3-8-5-12-7-15-8/h5,7H,1-4H2,(H,12,15)(H3,11,13,14)
PubChem CID44480959
ChEMBLCHEMBL1077861
IUPHARN/A
BindingDB50415656
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20779Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
20778Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
20777Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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