SEQ2FUN

BioLiP

PDB CCD ID: FG6
Number of entries in BioLiP: 3
Chemical formula: C20 H16 N2 O7 S
InChI: InChI=1S/C20H16N2O7S/c1-28-14-6-7-15-13(8-14)9-16(22(15)11-18(23)24)20(25)21-30(26,27)19-10-12-4-2-3-5-17(12)29-19/h2-10H,11H2,1H3,(H,21,25)(H,23,24)
InChIKey: XOSVMFKSAWOSMH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3cc4ccccc4o3
ACDLabs 11.02O=C(O)Cn1c4ccc(OC)cc4cc1C(=O)NS(=O)(=O)c3oc2ccccc2c3
CACTVS 3.352COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)c3oc4ccccc4c3
Name:{2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl}acetic acid
ChEMBL: CHEMBL1232727
ZINC: ZINC000058633687
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).