SEQ2FUN

BioLiP

PDB CCD ID: A1CFH
Number of entries in BioLiP: 8
Chemical formula: C17 H13 N O5 S
InChI: InChI=1S/C17H13NO5S/c19-16-10-14(24(21,22)23)9-12-8-13(6-7-15(12)16)18-17(20)11-4-2-1-3-5-11/h1-10,19H,(H,18,20)(H,21,22,23)
InChIKey: ZLHGMJOGMLVDFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cc(cc2cc(NC(=O)c3ccccc3)ccc12)[S](O)(=O)=O
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)C(=O)Nc2ccc3c(c2)cc(cc3O)S(=O)(=O)O
ACDLabs 14.52O=S(=O)(O)c1cc(O)c2ccc(cc2c1)NC(=O)c1ccccc1
Name:7-benzamido-4-hydroxynaphthalene-2-sulfonic 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).