Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●ATGO ●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 ●TCRfinder

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●TM-search ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●rMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●HPmod ●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	MLS001197249
Molecular formula	C19H13N3O4S
IUPAC name	5-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid
Molecular weight	379.39
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.6
Synonyms	5-[(N''E)-N''-(8-keto-5-quinolylidene)hydrazino]naphthalene-1-sulfonic acid CHEMBL1578670 SR-01000781685-2 AC1NYCIU MCULE-9342505187 5-[(2E)-2-(8-oxoquinolin-5-ylidene)hydrazinyl]naphthalene-1-sulfonic acid BDBM51788 SMR000555383 5-[2-(8-oxoquinolin-5-ylidene)hydrazinyl]naphthalene-1-sulfonic Acid cid_5876309 ZINC15884971 5-[(2E)-2-(8-oxidanylidenequinolin-5-ylidene)hydrazinyl]naphthalene-1-sulfonic acid AC1OA2XY 5-[(E)-(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid SR-01000781685 HMS2875D05 5-[(2E)-2-(8-oxo-5-quinolinylidene)hydrazinyl]-1-naphthalenesulfonic acid AKOS001617385 MolPort-007-559-181 [ Show all ]
Inchi Key	CWPNTHMHJUMFNM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H13N3O4S/c23-17-10-9-16(14-6-3-11-20-19(14)17)22-21-15-7-1-5-13-12(15)4-2-8-18(13)27(24,25)26/h1-11,23H,(H,24,25,26)
PubChem CID	3616901
ChEMBL	CHEMBL1578670
IUPHAR	N/A
BindingDB	51788
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
558899	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374

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