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

NameMLS000537663
Molecular formulaC24H21NO2
IUPAC name10-[bis(4-methylphenyl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Molecular weight355.437
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.1
SynonymsSTL384155
cid_2957057
AKOS000366737
SR-01000278505
8-[bis(4-methylphenyl)methylidene]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
[ Show all ]
Inchi KeyACTMDNIAXPEGIL-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H21NO2/c1-13-3-7-15(8-4-13)19(16-9-5-14(2)6-10-16)20-17-11-12-18(20)22-21(17)23(26)25-24(22)27/h3-12,17-18,21-22H,1-2H3,(H,25,26,27)
PubChem CID2957057
ChEMBLCHEMBL1446969
IUPHARN/A
BindingDB79974
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1894C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
1893Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
1892Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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