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	CHEMBL283372
Molecular formula	C22H21N5O2
IUPAC name	[2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridin-3-yl]methanol
Molecular weight	387.443
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.1
Synonyms	BDBM50047128 SCHEMBL9178926 2,6-Dimethyl-4-[[[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]oxy]pyridine-3-methanol {2,6-Dimethyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethoxy]-pyridin-3-yl}-methanol
Inchi Key	OPYWNKJNNIRHJT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21N5O2/c1-14-11-21(20(12-28)15(2)23-14)29-13-16-7-9-17(10-8-16)18-5-3-4-6-19(18)22-24-26-27-25-22/h3-11,28H,12-13H2,1-2H3,(H,24,25,26,27)
PubChem CID	14950499
ChEMBL	CHEMBL283372
IUPHAR	N/A
BindingDB	50047128
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
247474	Type-1 angiotensin II receptor	Q9WV26	AGTR1	Cavia porcellus (Guinea pig)	359

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