BioLiP

PDB

BioLiP

PDB CCD ID:

ICD

Number of entries in BioLiP:

Chemical formula:

C14 H13 N3 O5 S

InChI:

InChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19)

InChIKey:

YYUAYBYLJSNDCX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1cc(no1)NC(=O)C2=C(c3ccccc3S(=O)(=O)[N@]2C)O
OpenEye OEToolkits 1.7.6	Cc1cc(no1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O
CACTVS 3.370	CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(=O)Nc3cc(C)on3
ACDLabs 12.01	O=C(C2=C(O)c1c(cccc1)S(=O)(=O)N2C)Nc3noc(c3)C

Name:

4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide;
Isoxicam

ChEMBL:

CHEMBL53292

DrugBank:

DB08942

ZINC:

ZINC000049538599

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).