BioLiP

PDB

BioLiP

PDB CCD ID:

9C0

Number of entries in BioLiP:

Chemical formula:

C17 H20 N2 O2 S

InChI:

InChI=1S/C17H20N2O2S/c1-17(2,3)14-8-6-13(7-9-14)15-5-4-10-19-11-12-22(20,21)18-16(15)19/h4-10H,11-12H2,1-3H3

InChIKey:

NFUZLMGYOAJDAK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3
CACTVS 3.385	CC(C)(C)c1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23

Name:

9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

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).