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	CHEMBL151525
Molecular formula	C23H26N2O5S
IUPAC name	ethyl 3-methyl-5-[[2-[4-(2-methylpropyl)phenyl]phenyl]sulfonylamino]-1,2-oxazole-4-carboxylate
Molecular weight	442.53
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.6
Synonyms	5-(4''-Isobutyl-biphenyl-2-sulfonylamino)-3-methyl-isoxazole-4-carboxylic acid ethyl ester BDBM50068724 5-[[[4'-(2-Methylpropyl)-1,1'-biphenyl-2-yl]sulfonyl]amino]-3-methylisoxazole-4-carboxylic acid ethyl ester
Inchi Key	ALXWPYNATJEFMB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26N2O5S/c1-5-29-23(26)21-16(4)24-30-22(21)25-31(27,28)20-9-7-6-8-19(20)18-12-10-17(11-13-18)14-15(2)3/h6-13,15,25H,5,14H2,1-4H3
PubChem CID	10718053
ChEMBL	CHEMBL151525
IUPHAR	N/A
BindingDB	50068724
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
8655	Endothelin receptor type B	P21451	Ednrb	Rattus norvegicus (Rat)	442
8654	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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