Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameMLS000087711
Molecular formulaC20H16BrClN2O4
IUPAC nameN-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-chlorophenyl]furan-2-carboxamide
Molecular weight463.712
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.6
SynonymsSMR000023932
N-{4-[(3-bromo-4-ethoxybenzoyl)amino]-2-chlorophenyl}-2-furamide
N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-chlorophenyl]furan-2-carboxamide
AC1MMRTR
Oprea1_634228
[ Show all ]
Inchi KeyANVKONNLYQQYNM-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H16BrClN2O4/c1-2-27-17-8-5-12(10-14(17)21)19(25)23-13-6-7-16(15(22)11-13)24-20(26)18-4-3-9-28-18/h3-11H,2H2,1H3,(H,23,25)(H,24,26)
PubChem CID3243431
ChEMBLCHEMBL1461732
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9926Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
9927Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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