BioLiP

PDB

BioLiP

PDB CCD ID:

GZS

Number of entries in BioLiP:

Chemical formula:

C16 H17 N O5 S

InChI:

InChI=1S/C16H17NO5S/c18-16(19)7-4-12-17-23(20,21)15-10-8-14(9-11-15)22-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2,(H,18,19)

InChIKey:

IALLXBXXANGXMF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CCCN[S](=O)(=O)c1ccc(Oc2ccccc2)cc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)NCCCC(=O)O

Name:

4-[(4-phenoxyphenyl)sulfonylamino]butanoic 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).