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BioLiP

PDB CCD ID: 805
Number of entries in BioLiP: 0
Chemical formula: C16 H15 N3 O4 S
InChI: InChI=1S/C16H15N3O4S/c1-12-2-4-14(5-3-12)24(21,22)19-8-6-13(11-19)16(20)18-10-15-17-7-9-23-15/h2-9,11H,10H2,1H3,(H,18,20)
InChIKey: ZNWZRQDRLJHYOE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)C(=O)NCc3ncco3
CACTVS 3.385Cc1ccc(cc1)[S](=O)(=O)n2ccc(c2)C(=O)NCc3occn3
Name:1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide
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)(download the PDF file).
  • 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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