Zhang Lab

National University of Singapore

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 ●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	MLS001209947
Molecular formula	C17H12ClN3O4S
IUPAC name	(5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
Molecular weight	389.81
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.5
Synonyms	(5Z)-2-(2-chloroanilino)-5-[(2-methoxy-3-nitrophenyl)methylidene]-4-thiazolone BDBM78362 ZINC4471582 2-[(2-chlorophenyl)imino]-5-{3-nitro-2-methoxybenzylidene}-1,3-thiazolidin-4-one cid_1205434 (5Z)-2-(2-chloroanilino)-5-(2-methoxy-3-nitro-benzylidene)-2-thiazolin-4-one AKOS000542196 MolPort-019-764-962 (5Z)-2-[(2-chlorophenyl)amino]-5-[(2-methoxy-3-nitro-phenyl)methylidene]-1,3-thiazol-4-one HMS2823O15 (5Z)-2-(2-chloroanilino)-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one BAS 00336165 SMR000513525 2-(2-Chloro-phenylimino)-5-(2-methoxy-3-nitro-benzylidene)-thiazolidin-4-one CHEMBL1494282 AG-690/36169036 [ Show all ]
Inchi Key	AJZSDZUZDNNHMY-ZROIWOOFSA-N
Inchi ID	InChI=1S/C17H12ClN3O4S/c1-25-15-10(5-4-8-13(15)21(23)24)9-14-16(22)20-17(26-14)19-12-7-3-2-6-11(12)18/h2-9H,1H3,(H,19,20,22)/b14-9-
PubChem CID	135411696
ChEMBL	CHEMBL1494282
IUPHAR	N/A
BindingDB	78362
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
7363	Galanin receptor type 3	O60755	GALR3	Homo sapiens (Human)	368
7364	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417