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BioLiP

PDB CCD ID: M5X
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2 O4 S
InChI: InChI=1S/C8H8N2O4S/c9-15(13,14)4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)(H2,9,13,14)/t7-/m0/s1
InChIKey: KJMQFACDQCJBET-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1S(=O)(=O)N)C(C(=O)N2)O
CACTVS 3.385N[S](=O)(=O)c1ccc2NC(=O)[CH](O)c2c1
ACDLabs 12.01NS(=O)(=O)c1cc2c(cc1)NC(=O)C2O
OpenEye OEToolkits 2.0.7c1cc2c(cc1S(=O)(=O)N)[C@@H](C(=O)N2)O
CACTVS 3.385N[S](=O)(=O)c1ccc2NC(=O)[C@@H](O)c2c1
Name:(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide
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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