Zhang Lab

University of Michigan

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

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	MLS000779074
Molecular formula	C20H19NO3
IUPAC name	(2Z)-7-[(dimethylamino)methyl]-6-hydroxy-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one
Molecular weight	321.376
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.7
Synonyms	(2Z)-7-[(dimethylamino)methyl]-6-hydroxy-2-[(2E)-3-phenylprop-2-en-1-ylidene]-1-benzofuran-3(2H)-one 899411-94-0 F3385-2199 (2Z)-7-[(dimethylamino)methyl]-6-hydroxy-2-[(E)-3-phenylprop-2-enylidene]coumaran-3-one BDBM69402 MolPort-002-643-354 2-((2E)-3-phenylprop-2-enylidene)-7-[(dimethylamino)methyl]-6-hydroxybenzo[b]f uran-3-one CHEMBL1509042 STL033309 (2Z)-7-[(dimethylamino)methyl]-6-hydroxy-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one AC1LZ326 HMS2748N20 (2Z)-7-[(dimethylamino)methyl]-6-oxidanyl-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one CHEBI:121948 SMR000415754 (2Z)-7-(dimethylaminomethyl)-6-hydroxy-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one 7-Dimethylaminomethyl-6-hydroxy-2-[(E)-3-phenyl-prop-2-en-(Z)-ylidene]-benzofuran-3-one cid_1940326 ZINC13540174 (2Z)-7-[(dimethylamino)methyl]-6-hydroxy-2-[(E)-3-phenylprop-2-enylidene]-3-benzofuranone AKOS002217857 (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-phenylallylidene)benzofuran-3(2H)-one ST50474565 [ Show all ]
Inchi Key	AJSXKTMPEQNQES-CVCOPPNTSA-N
Inchi ID	InChI=1S/C20H19NO3/c1-21(2)13-16-17(22)12-11-15-19(23)18(24-20(15)16)10-6-9-14-7-4-3-5-8-14/h3-12,22H,13H2,1-2H3/b9-6+,18-10-
PubChem CID	1940326
ChEMBL	CHEMBL1509042
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
7215	Thyrotropin-releasing hormone receptor	P34981	TRHR	Homo sapiens (Human)	398

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