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BioLiP

PDB CCD ID: V1Q
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N3 O2 S
InChI: InChI=1S/C11H13N3O2S/c1-9-3-5-10(6-4-9)17(15,16)13-11-7-8-14(2)12-11/h3-8H,1-2H3,(H,12,13)
InChIKey: TWGSHKAINVZRCA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1ccc(N[S](=O)(=O)c2ccc(C)cc2)n1
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)S(=O)(=O)Nc2ccn(n2)C
Name:4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide
ZINC: ZINC000002780956
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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