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	CHEMBL83166
Molecular formula	C35H38N4O8S
IUPAC name	cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-(morpholine-4-carbonyl)indol-5-yl]carbamate
Molecular weight	674.769
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	5.0
Synonyms	BDBM50071633 [3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-(morpholine-4-carbonyl)-1H-indol-5-yl]-carbamic acid cyclopentyl ester
Inchi Key	CKYRWLCWNQIGSL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C35H38N4O8S/c1-23-7-3-6-10-32(23)48(43,44)37-33(40)25-12-11-24(31(20-25)45-2)19-26-22-39(35(42)38-15-17-46-18-16-38)30-14-13-27(21-29(26)30)36-34(41)47-28-8-4-5-9-28/h3,6-7,10-14,20-22,28H,4-5,8-9,15-19H2,1-2H3,(H,36,41)(H,37,40)
PubChem CID	44461050
ChEMBL	CHEMBL83166
IUPHAR	N/A
BindingDB	50071633
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
44529	Cysteinyl leukotriene receptor 1	Q2NNR5	CYSLTR1	Cavia porcellus (Guinea pig)	340

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