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

NameCHEMBL182410
Molecular formulaC25H32ClN3O3
IUPAC name3-[1-[3-(2-chloro-5-methylphenoxy)-2-hydroxyhexyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular weight457.999
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50159915
1-{1-[3-(2-Chloro-5-methyl-phenoxy)-2-hydroxy-hexyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
Inchi KeyAZPDSENEWXRPQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32ClN3O3/c1-3-6-23(32-24-15-17(2)9-10-19(24)26)22(30)16-28-13-11-18(12-14-28)29-21-8-5-4-7-20(21)27-25(29)31/h4-5,7-10,15,18,22-23,30H,3,6,11-14,16H2,1-2H3,(H,27,31)
PubChem CID44391133
ChEMBLCHEMBL182410
IUPHARN/A
BindingDB50159915
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18390Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
18389Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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