BioLiP

PDB

BioLiP

PDB CCD ID:

IL3

Number of entries in BioLiP:

Chemical formula:

C11 H14 N2 O3 S

InChI:

InChI=1S/C11H14N2O3S/c1-2-3-8-16-11-6-4-10(5-7-11)9-13-17(12,14)15/h4-7,13H,8-9H2,1H3,(H2,12,14,15)

InChIKey:

YCDIYRUTYILYGJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC#CCOc1ccc(CN[S](N)(=O)=O)cc1
OpenEye OEToolkits 1.7.6	CC#CCOc1ccc(cc1)CNS(=O)(=O)N

Name:

1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene

ZINC:

ZINC000213030024

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).