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BioLiP

PDB CCD ID: SU0
Number of entries in BioLiP: 1
Chemical formula: C18 H16 N2 O6 S
InChI: InChI=1S/C18H16N2O6S/c1-25-13-4-7-15-11(9-18(22)26-16(15)10-13)8-17(21)20-12-2-5-14(6-3-12)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24)
InChIKey: VZBSCWDKCMOJCR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(N)c1ccc(cc1)NC(=O)CC=2c3c(OC(=O)C=2)cc(OC)cc3
OpenEye OEToolkits 1.7.0COc1ccc2c(c1)OC(=O)C=C2CC(=O)Nc3ccc(cc3)S(=O)(=O)N
CACTVS 3.370COc1ccc2C(=CC(=O)Oc2c1)CC(=O)Nc3ccc(cc3)[S](N)(=O)=O
Name:2-(7-methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoylphenyl)acetamide
ChEMBL: CHEMBL477822
ZINC: ZINC000009705226
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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