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

NameCHEMBL18769
Molecular formulaC14H17ClN4O
IUPAC name6-chloro-N-(1-methylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
Molecular weight292.767
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.0
SynonymsN-(1-Methylpiperidine-4-yl)-6-chloro-1H-benzimidazole-4-carboxamide
6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-methyl-piperidin-4-yl)-amide
BDBM50105630
Inchi KeyAJDXFRIXYIGSKC-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H17ClN4O/c1-19-4-2-10(3-5-19)18-14(20)11-6-9(15)7-12-13(11)17-8-16-12/h6-8,10H,2-5H2,1H3,(H,16,17)(H,18,20)
PubChem CID15544720
ChEMBLCHEMBL18769
IUPHARN/A
BindingDB50105630
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
68205-hydroxytryptamine receptor 4Q62758Htr4Rattus norvegicus (Rat)406

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