Zhang Lab

University of Michigan

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 ●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

●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	CHEMBL1518991
Molecular formula	C18H16ClF3N2O4S
IUPAC name	4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
Molecular weight	448.841
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.4
Synonyms	4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide NCGC00121948-01 MCULE-7866241515 AKOS001932911 ZINC8588786 E470-1341 MolPort-007-734-273 HMS1862P17 [ Show all ]
Inchi Key	AINBDVBUWIJUPR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H16ClF3N2O4S/c1-10-7-15-16(28-6-5-24(15)11(2)25)9-17(10)29(26,27)23-14-8-12(18(20,21)22)3-4-13(14)19/h3-4,7-9,23H,5-6H2,1-2H3
PubChem CID	16018535
ChEMBL	CHEMBL1518991
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
6374	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218