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	SMR000093497
Molecular formula	C18H21NO4
IUPAC name	2-methylpropyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
Molecular weight	315.369
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.2
Synonyms	CCG-128425 NCGC00083541-02 2-methylpropyl 6-(furan-2-yl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate 6-(2-furyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid isobutyl ester cid_5308593 SR-01000123854 AKOS022034593 MLS000116527 ST50641494 2-methylpropyl 6-(furan-2-yl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate SCHEMBL2019581 AC1NSF27 isobutyl 6-(2-furyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate SR-01000123854-1 BDBM48971 MolPort-000-912-848 STK405856 2-methylpropyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CHEMBL1389029 6-(2-furanyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-methylpropyl ester AKOS003375393 MCULE-1191579330 SR-01000123854-3 2-methylpropyl 6-(2-furyl)-3-methyl-4-oxo-5,6,7-trihydroindole-2-carboxylate [ Show all ]
Inchi Key	BKTVAGCHZGSVFM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21NO4/c1-10(2)9-23-18(21)17-11(3)16-13(19-17)7-12(8-14(16)20)15-5-4-6-22-15/h4-6,10,12,19H,7-9H2,1-3H3
PubChem CID	5308593
ChEMBL	CHEMBL1389029
IUPHAR	N/A
BindingDB	48971
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
26160	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
26157	D(1B) dopamine receptor	P21918	DRD5	Homo sapiens (Human)	477
26158	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
26159	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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