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	MLS000586810
Molecular formula	C22H27NO3S
IUPAC name	2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Molecular weight	385.522
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.4
Synonyms	AKOS001834257 2-[(6-methoxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl)thio]-N-(2-phenylethyl)acetamide 2-[(6-methoxy-2,2-dimethyl-chroman-4-yl)thio]-N-phenethyl-acetamide HMS2263F19 AKOS022040537 MolPort-007-641-449 2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide CHEMBL1556845 MCULE-9919325384 2-[(6-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)thio]-N-(2-phenylethyl)acetamide BDBM96653 SMR000208740 2-[(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfanyl]-N-(2-phenylethyl)ethanamide cid_15945446 [ Show all ]
Inchi Key	AFOTVSJJNDZGNM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H27NO3S/c1-22(2)14-20(18-13-17(25-3)9-10-19(18)26-22)27-15-21(24)23-12-11-16-7-5-4-6-8-16/h4-10,13,20H,11-12,14-15H2,1-3H3,(H,23,24)
PubChem CID	15945446
ChEMBL	CHEMBL1556845
IUPHAR	N/A
BindingDB	96653
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
4364	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
4363	Trace amine-associated receptor 1	Q96RJ0	TAAR1	Homo sapiens (Human)	339

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