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

NameMLS000116347
Molecular formulaC18H20N2O4S
IUPAC nameethyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Molecular weight360.428
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
Synonyms2-[(5-cyclopropylisoxazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
cid_5307410
MolPort-006-844-094
AC1NSCHP
ethyl 2-[(5-cyclopropylisoxazol-3-yl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b] thiophene-3-carboxylate
[ Show all ]
Inchi KeyBIWJEFHETPCONI-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20N2O4S/c1-2-23-18(22)15-11-5-3-4-6-14(11)25-17(15)19-16(21)12-9-13(24-20-12)10-7-8-10/h9-10H,2-8H2,1H3,(H,19,21)
PubChem CID5307410
ChEMBLCHEMBL1573313
IUPHARN/A
BindingDB34498
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
24773fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
24772N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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