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	3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}phenol
Molecular formula	C20H14N4O3
IUPAC name	3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]phenol
Molecular weight	358.357
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.9
Synonyms	MolPort-000-663-853 SR-01000488564 3-[[2-(4-nitrophenyl)-4-quinazolinyl]amino]phenol 432500-27-1 cid_1187240 Neuro1_000607 STK842858 AKOS000273163 MCULE-5701514169 SBB015496 CHEMBL1523597 MolPort-000-793-434 SR-01000488564-1 3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]phenol HMS2880I15 Oprea1_192951 ZINC16994048 BDBM58429 MLS001196791 SMR000555962 ChemDiv1_009745 NCGC00274817-01 ST50192043 AB00830638-07 HMS614K21 Oprea1_672062 [ Show all ]
Inchi Key	CWTDCUNNIJYHKP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H14N4O3/c25-16-5-3-4-14(12-16)21-20-17-6-1-2-7-18(17)22-19(23-20)13-8-10-15(11-9-13)24(26)27/h1-12,25H,(H,21,22,23)
PubChem CID	1187240
ChEMBL	CHEMBL1523597
IUPHAR	N/A
BindingDB	58429
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
52413	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
52412	Neurotensin receptor type 1	P30989	NTSR1	Homo sapiens (Human)	418
469371	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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