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BioLiP

PDB CCD ID: GZS
Number of entries in BioLiP: 0
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:
SoftwareSMILES
CACTVS 3.385OC(=O)CCCN[S](=O)(=O)c1ccc(Oc2ccccc2)cc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)NCCCC(=O)O
Name:4-[(4-phenoxyphenyl)sulfonylamino]butanoic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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