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

NameSMR000055040
Molecular formulaC19H16O6
IUPAC namemethyl 2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetate
Molecular weight340.331
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.5
SynonymsAC1Q4499
EiM07-28797
MolPort-000-653-862
2-(4-keto-2-methyl-3-phenoxy-chromen-7-yl)oxyacetic acid methyl ester
BDBM37802
[ Show all ]
Inchi KeyAKNHFZVXJDNNJF-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H16O6/c1-12-19(25-13-6-4-3-5-7-13)18(21)15-9-8-14(10-16(15)24-12)23-11-17(20)22-2/h3-10H,11H2,1-2H3
PubChem CID722777
ChEMBLCHEMBL1311143
IUPHARN/A
BindingDB37802
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7715fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
7716N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351
463823Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
7717Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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