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

NameAC1MVWSF
Molecular formulaC19H15F3N6O6
IUPAC name2-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
Molecular weight480.36
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP5.2
SynonymsHMS2522H13
STK075346
MolPort-000-835-756
N~2~-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N~1~-(5-nitroquinolin-8-yl)propane-1,2-diamine
2-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
[ Show all ]
Inchi KeyADWIPVJBIDKVKS-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H15F3N6O6/c1-10(9-24-13-4-5-14(26(29)30)12-3-2-6-23-17(12)13)25-18-15(27(31)32)7-11(19(20,21)22)8-16(18)28(33)34/h2-8,10,24-25H,9H2,1H3
PubChem CID3739894
ChEMBLCHEMBL1483311
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3179Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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