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

NameSMR000005663
Molecular formulaC20H22N6O3S
IUPAC nameN-[3-[[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]furan-2-carboxamide
Molecular weight426.495
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.3
SynonymsCHEMBL1305940
ZINC1361018
AC1LDD5T
MCULE-9527109834
BRD-K18111067-001-07-5
[ Show all ]
Inchi KeyAGVVWRLITSDYFI-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N6O3S/c27-18(13-30-20-23-24-25-26(20)16-8-2-1-3-9-16)21-14-6-4-7-15(12-14)22-19(28)17-10-5-11-29-17/h4-7,10-12,16H,1-3,8-9,13H2,(H,21,27)(H,22,28)
PubChem CID646208
ChEMBLCHEMBL1305940
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
5269Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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