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

NameBAS 03421985
Molecular formulaC18H14N6O3
IUPAC name1-methyl-4-nitro-N-(2-phenyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide
Molecular weight362.349
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.5
SynonymsSMR000178027
1-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid (2-phenyl-1H-benzoimidazol-5-yl)-amide
HMS2510K18
AC1MK1FU
Oprea1_447631
[ Show all ]
Inchi KeyAAABHMIRDIOYOK-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H14N6O3/c1-23-10-15(24(26)27)16(22-23)18(25)19-12-7-8-13-14(9-12)21-17(20-13)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,25)(H,20,21)
PubChem CID3147229
ChEMBLCHEMBL1527551
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
1Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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