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

NameOprea1_480237
Molecular formulaC18H16N2O5S
IUPAC namemethyl 3-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]thiophene-2-carboxylate
Molecular weight372.395
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.3
Synonyms3-[(1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carbonyl)-amino]-thiophene-2-carboxylic acid methyl ester
MolPort-001-731-949
ZINC100730298
CHEMBL1505276
Oprea1_514699
[ Show all ]
Inchi KeyAHXUSNGOCGBQSJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16N2O5S/c1-3-20-12-7-5-4-6-10(12)14(21)13(17(20)23)16(22)19-11-8-9-26-15(11)18(24)25-2/h4-9,21H,3H2,1-2H3,(H,19,22)
PubChem CID54702957
ChEMBLCHEMBL1505276
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
5965Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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