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

NameN-(2-{1-[4-(4-chlorophenoxy)butyl]-1H-benzimidazol-2-yl}ethyl)-2,2-dimethylpropanamide
Molecular formulaC24H30ClN3O2
IUPAC nameN-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
Molecular weight427.973
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.4
SynonymsHMS1846I06
STK951789
AC1NGTKD
CHEMBL1515135
NCGC00116117-01
[ Show all ]
Inchi KeyACDHODYVZJSQEN-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30ClN3O2/c1-24(2,3)23(29)26-15-14-22-27-20-8-4-5-9-21(20)28(22)16-6-7-17-30-19-12-10-18(25)11-13-19/h4-5,8-13H,6-7,14-17H2,1-3H3,(H,26,29)
PubChem CID4754975
ChEMBLCHEMBL1515135
IUPHARN/A
BindingDBN/A
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
1445Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463137Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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