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BioLiP

PDB CCD ID: SFQ
Number of entries in BioLiP: 3
Chemical formula: C13 H10 I N O4 S
InChI: InChI=1S/C13H10INO4S/c14-9-5-7-10(8-6-9)20(18,19)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17)
InChIKey: PLJIQKJMJAHNRG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Ic1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)O
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(cc2)I
CACTVS 3.385OC(=O)c1ccccc1N[S](=O)(=O)c2ccc(I)cc2
Name:2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid
ZINC: ZINC000004757062
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).
  • 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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