BioLiP

PDB

BioLiP

PDB CCD ID:

J38

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O3 S

InChI:

InChI=1S/C10H8N2O3S/c1-5-9(13)11-7-4-6(10(14)12-15)2-3-8(7)16-5/h2-5H,1H3,(H,11,13)/t5-/m1/s1

InChIKey:

YALBEYHVOFQECJ-RXMQYKEDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C[C@@H]1C(=O)Nc2cc(ccc2S1)C(=O)NO
OpenEye OEToolkits 1.7.6	CC1C(=O)Nc2cc(ccc2S1)C(=O)NO
CACTVS 3.385	C[CH]1Sc2ccc(cc2NC1=O)C(=O)NO
CACTVS 3.385	C[C@H]1Sc2ccc(cc2NC1=O)C(=O)NO
ACDLabs 12.01	O=NC(=O)c2ccc1SC(C(=O)Nc1c2)C

Name:

(2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbohydroxamic acid

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).