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

NameCHEMBL1086105
Molecular formulaC24H26FN5O
IUPAC name5-[3-[4-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-3-methylphenoxy]propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
Molecular weight419.504
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50319302
5-(3-(4-(5-fluoro-4-methyl-1H-benzo[d]imidazol-2-yl)-3-methylphenoxy)propyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
Inchi KeyMGPIMNVSULKFFK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26FN5O/c1-15-12-17(31-11-3-9-30-10-8-20-22(13-30)27-14-26-20)4-5-18(15)24-28-21-7-6-19(25)16(2)23(21)29-24/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,26,27)(H,28,29)
PubChem CID46890166
ChEMBLCHEMBL1086105
IUPHARN/A
BindingDB50319302
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
204902Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
204899Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
204901Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
204898Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390
204900Histamine H4 receptorQ91ZY2Hrh4Mus musculus (Mouse)391

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