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	NEDOCROMIL
Molecular formula	C19H17NO7
IUPAC name	9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylic acid
Molecular weight	371.345
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	2.2
Synonyms	AB0032771 API0006233 CC-32668 DB00716 FPL59002 NCGC00182073-02 Nedocromil, Disodium Salt SR-01000944506-1 X6180 9-ethyl-4,6-dioxo-10-propyl-4H,6H,9H-chromeno[7,6-b]pyridine-2,8-dicarboxylic acid AC1Q6AI2 BIDD:GT0716 CS-2323 DSSTox_RID_76990 HY-13448 Nedocromil (USAN/INN) Nedocromilum Tilarin 101626-68-0 (calcium salt (1:1)) 9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylic acid 9-Ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano(3,2-g)quinoline-2,8-dicarboxylic acid AKOS016014051 C19H17NO7 D06FVX FPL 59002 LS-176726 Nedocromil, >=98% (HPLC) SCHEMBL4611 Tox21_113148_1 69049-73-6 AC-30178 AX8144084 CHEBI:7492 DSSTox_CID_3356 FT-0630782 NCGC00182073-03 Nedocromilo ST24045863 049N736 Z-3186 9-ethyl-4,6-dioxo-10-propyl-6,9-dihydro-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid ACMC-20p1ds C-21152 CTK9A5792 DTXSID7023356 KB-79344 Nedocromil [USAN:BAN:INN] Nedocromilum [Latin] Tildade (TN) 4CA-0899 9-ethyl-4,6-dioxo-10-propylpyrano[5,6-g]quinoline-2,8-dicarboxylic acid 9-Ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid AN-37979 CAS-69049-73-6 FPL-59002 MolPort-006-167-614 Nedocromil, Calcium Salt (1:1) SR-01000944506 UNII-0B535E0BN0 69049-74-7 (di-hydrochloride salt) AC1L18TT BCP22724 CHEMBL746 DSSTox_GSID_23356 GTPL7607 Nedocromilo [Spanish] Tilade 0B535E0BN0 ZINC3782807 9-ethyl-4,6-dioxo-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid 9-Ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano(3,2-g)chinolin-2,8-dicarbonsaeure AJ-45597 C07255 D05129 EX-A098 L001326 Nedocromil [USAN:INN:BAN] Rapitil Tox21_113148 4H-Pyrano(3,2-g)quinoline-2,8-dicarboxylic acid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl- [ Show all ]
Inchi Key	RQTOOFIXOKYGAN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)
PubChem CID	50294
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB00716
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
302887	Cysteinyl leukotriene receptor 1	Q9Y271	CYSLTR1	Homo sapiens (Human)	337
302885	Cysteinyl leukotriene receptor 2	Q9NS75	CYSLTR2	Homo sapiens (Human)	346
302884	fMet-Leu-Phe receptor	P21462	FPR1	Homo sapiens (Human)	350
302886	Prostaglandin D2 receptor	Q13258	PTGDR	Homo sapiens (Human)	359

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