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

NameCHEMBL369786
Molecular formulaC25H33N3O2
IUPAC name3-[1-[4-methyl-3-(2-methylphenoxy)pentyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular weight407.558
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM50159916
1-[1-(4-Methyl-3-o-tolyloxy-pentyl)-piperidin-4-yl]-1,3-dihydro-benzoimidazol-2-one
Inchi KeyAGLOLGURRWOWKK-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33N3O2/c1-18(2)23(30-24-11-7-4-8-19(24)3)14-17-27-15-12-20(13-16-27)28-22-10-6-5-9-21(22)26-25(28)29/h4-11,18,20,23H,12-17H2,1-3H3,(H,26,29)
PubChem CID44391079
ChEMBLCHEMBL369786
IUPHARN/A
BindingDB50159916
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4998Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
4999Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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