Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

Name2,3-dimethyl-5-[5-(1-naphthylamino)-1,3,4-thiadiazol-2-yl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Molecular formulaC25H22N4O2S
IUPAC name9,10-dimethyl-12-[5-(naphthalen-1-ylamino)-1,3,4-thiadiazol-2-yl]-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
Molecular weight442.537
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.9
SynonymsSMR000206724
MLS000583538
AC1N40ZW
MLS002588476
CHEMBL1529273
[ Show all ]
Inchi KeyABWCPNTWIPBERY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22N4O2S/c1-25-14-18(17-11-5-6-13-20(17)31-25)21(23(30)29(25)2)22-27-28-24(32-22)26-19-12-7-9-15-8-3-4-10-16(15)19/h3-13,18,21H,14H2,1-2H3,(H,26,28)
PubChem CID4096154
ChEMBLCHEMBL1529273
IUPHARN/A
BindingDBN/A
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
1236Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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