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	66548-69-4
Molecular formula	C13H9F3N4
IUPAC name	3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
Molecular weight	278.238
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.7
Synonyms	BRD-K00662280-001-04-5 CL218,872 HMS3268A16 NCGC00025269-01 SMR000326924 3-methyl-6-(alpha,alpha,alpha-trifluoro-m-tolyl)-1,2,4-triazolo[4,3-b]pyridazine A835489 AKOS024456755 CI-218872 DB-054936 KB-271972 PDSP1_001766 Tocris-1709 3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,2-b)pyridazine 3-Methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazolo-(4,3-b)pyridazine BDBM50026756 CL-218,872 GUOQUXNJZHGPQF-UHFFFAOYSA-N MLS000860066 RP29785 ZINC2568376 3-Methyl-6-(3-[trifluoromethyl]phenyl)-1,2,4-triazolo-(4,3-B)pyridazine CHEBI:92018 CTK2F3997 HMS3369C09 NCGC00025269-02 SR-01000597518 1,2,4-Triazolo(4,3-b)pyridazine, 3-methyl-6-(3-(trifluoromethyl)phenyl)- 3-Methyl-6-[-3-(trifluoromethyl)phenyl]-1,2,4-triazolo[4,3-b]pyridazine AC1L331Q AN-25623 CL 218,872 DTXSID80216728 LS-186729 PDSP2_000629 v3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[4,3-b]pyridazine 3-Methyl-6-(3-(trifluoromethyl)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine 3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine BRD-K00662280-001-01-1 CL-218872 HMS2235F15 MolPort-003-958-694 SCHEMBL1320758 3-methyl-6-(alpha, alpha,alpha -trifluoro-m-tolyl)-1,2,4-triazolo[4,3-b]pyridazine CHEMBL13662 D01IHM J-520102 PDSP1_000634 SR-01000597518-1 1,2,4-Triazolo[4,3-b]pyridazine, 3-methyl-6-[3-(trifluoromethyl)phenyl]- 3-Methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazolo-(4,3-b) pyridazine AC1Q4K4I B6840 CL 218872 FT-0641074 LS-187420 PDSP2_001749 Z2026966425 3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[4,3-b]pyridazine 3-methyl-6-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazine [ Show all ]
Inchi Key	GUOQUXNJZHGPQF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
PubChem CID	107950
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50026756
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
555880	Gamma-aminobutyric acid type B receptor subunit 1	Q9Z0U4	Gabbr1	Rattus norvegicus (Rat)	991

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