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	79966-13-5
Molecular formula	C10H7ClN2O3
IUPAC name	4-chloro-1-methyl-3-nitroquinolin-2-one
Molecular weight	238.627
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.9
Synonyms	EN300-43376 MCULE-4777173767 SCHEMBL3262089 TC-137810 4-Chlor- 1-methyl-3-nitro- chinolin-2(1H)-on 4-chloro-1-methyl-3-nitro-quinolin-2-one AC1LDV6Y BAS 01060322 CC-1388 CHEMBL1499951 HMS661E20 Oprea1_227964 SR-01000528049-1 ZINC83518 4-chloro-1-methyl-3-nitro-1,2-dihydroquinolin-2-one 4-chloro-1-methyl-3-nitroquinolin-2-one ACT03881 BR-28122 CTK5E7297 KB-87268 S-4810 ST2411256 4-chloro-1-methyl-3-nitro-2-quinolinone A2186/0091899 AN-36533 BRD-K78867378-001-08-1 CHEBI:95311 FT-0658918 MLS000687758 SMR000283639 W8518 4-chloranyl-1-methyl-3-nitro-quinolin-2-one 4-chloro-1-methyl-3-nitrohydroquinolin-2-one AC1Q1WQB BBL028406 ChemDiv1_026156 I08-0291 Oprea1_451125 SR-01000528049-3 4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one AJ-10642 BRD-7378 DTXSID40351503 KS-00002A4F SBB054669 STK762078 2(1H)-Quinolinone,4-chloro-1-methyl-3-nitro- 4-chloro-1-methyl-3-nitro-carbostyril AB0026775 ANW-49065 BRD7378 HMS2715F19 MolPort-000-876-029 SR-01000528049 ZB002970 4-Chloro-1,2-dihydro-1-methyl-3-nitro-2-oxoquinoline 4-chloro-1-methyl-3-nitroquinolin-2(1h)-one AC1Q3XNS BDBM63524 cid_701939 KB-190335 PS-4222 ST072383 4-chloro-1-methyl-3-nitro-2(1H)-quinolinone 966C135 AKOS000633473 BRD-K78867378-001-06-5 [ Show all ]
Inchi Key	KPDOVJBEKCRATD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H7ClN2O3/c1-12-7-5-3-2-4-6(7)8(11)9(10(12)14)13(15)16/h2-5H,1H3
PubChem CID	701939
ChEMBL	CHEMBL1499951
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
174622	Lutropin-choriogonadotropic hormone receptor	P22888	LHCGR	Homo sapiens (Human)	699
174624	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
174623	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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