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

NameMLS000051886
Molecular formulaC19H16ClN3O3
IUPAC name2-[(4-chlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)benzamide
Molecular weight369.805
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP3.5
SynonymsSTL119533
2-[(4-chlorophenyl)carbamoylamino]-N-(2-furfuryl)benzamide
BAS 02498403
HMS2501E17
2-[[(4-chloroanilino)-oxomethyl]amino]-N-(2-furanylmethyl)benzamide
[ Show all ]
Inchi KeyARCJTCXIQFJWDK-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H16ClN3O3/c20-13-7-9-14(10-8-13)22-19(25)23-17-6-2-1-5-16(17)18(24)21-12-15-4-3-11-26-15/h1-11H,12H2,(H,21,24)(H2,22,23,25)
PubChem CID1131627
ChEMBLCHEMBL1508615
IUPHARN/A
BindingDB32790
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12307Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
12308Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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