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:

Ligand

NameCHEMBL186951
Molecular formulaC20H22ClFN4O
IUPAC name2-chloro-4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1,2-dihydrobenzimidazol-5-yl]benzamide
Molecular weight388.871
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50156403
2-Chloro-4-fluoro-N-[3-(1-methyl-piperidin-4-yl)-2,3-dihydro-1H-benzoimidazol-5-yl]-benzamide
Inchi KeyHORYMJPSJIHJTK-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22ClFN4O/c1-25-8-6-15(7-9-25)26-12-23-18-5-3-14(11-19(18)26)24-20(27)16-4-2-13(22)10-17(16)21/h2-5,10-11,15,23H,6-9,12H2,1H3,(H,24,27)
PubChem CID44395930
ChEMBLCHEMBL186951
IUPHARN/A
BindingDB50156403
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1203075-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366

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