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	3,4-DINITROPHENOL
Molecular formula	C6H4N2O5
IUPAC name	3,4-dinitrophenol
Molecular weight	184.107
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.2
Synonyms	3,4-DNP AJ-51414 CC-13312 DTXSID80206407 Phenol, 3,4-dinitro- 3,4-dinitro phenol 6,5-Dinitrophenol AN-46037 FT-0632424 UNII-I108F156M4 AC1L1X5V BRN 1969398 DB-021953 KB-28419 ZLD0416 4-06-00-01384 (Beilstein Handbook Reference) AKLOLDQYWQAREW-UHFFFAOYSA-N CCRIS 3105 EINECS 209-415-3 SCHEMBL213758 3,4-Dinitrofenol 8530AB AX8082178 CHEMBL3347427 I01-0816 ZINC4521448 3,4-Dinitrophenol, moistened with water, >=97.0% (HPLC) ACMC-1AY8J C-07184 DNX LS-104568 577-71-9 AKOS015888235 CHEBI:39358 FCH1118138 TC-169994 3,4-Dinitrofenol [Czech] A831591 BCP25455 CTK1H3308 I108F156M4 zlchem 950 [ Show all ]
Inchi Key	AKLOLDQYWQAREW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H
PubChem CID	11348
ChEMBL	CHEMBL3347427
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
442011	G-protein coupled receptor 35	Q9HC97	GPR35	Homo sapiens (Human)	309

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