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BioLiP

PDB CCD ID: QXF
Number of entries in BioLiP: 1
Chemical formula: C14 H15 Cl N4 O3 S
InChI: InChI=1S/C14H15ClN4O3S/c1-23(21,22)19(13-4-2-3-11(15)7-13)9-12-6-5-10(8-17-12)14(20)18-16/h2-8H,9,16H2,1H3,(H,18,20)
InChIKey: SBSZNKFUDSVSJK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)N(Cc1ccc(cn1)C(=O)NN)c2cccc(Cl)c2
OpenEye OEToolkits 2.0.7CS(=O)(=O)N(Cc1ccc(cn1)C(=O)NN)c2cccc(c2)Cl
Name:~{N}-[[5-(aminocarbamoyl)pyridin-2-yl]methyl]-~{N}-(3-chlorophenyl)methanesulfonamide
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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