SEQ2FUN

BioLiP

PDB CCD ID: A1L50
Number of entries in BioLiP: 5
Chemical formula: C24 H18 N2 O6 S
InChI: InChI=1S/C24H18N2O6S/c27-22-14-20(33(30,31)32)13-17-12-19(10-11-21(17)22)26-24(29)16-6-8-18(9-7-16)25-23(28)15-4-2-1-3-5-15/h1-14,27H,(H,25,28)(H,26,29)(H,30,31,32)
InChIKey: JWCMUESZVPLKEQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cc(cc2cc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)ccc12)[S](O)(=O)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)Nc3ccc4c(c3)cc(cc4O)S(=O)(=O)O
Name:7-[(4-benzamidophenyl)carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid;
NSC-37215
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).