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BioLiP

PDB CCD ID: N8A
Number of entries in BioLiP: 4
Chemical formula: C14 H16 N4 O4 S
InChI: InChI=1S/C14H16N4O4S/c15-23(21,22)11-4-5-13(19)12(9-11)18-14(20)17-8-6-10-3-1-2-7-16-10/h1-5,7,9,19H,6,8H2,(H2,15,21,22)(H2,17,18,20)
InChIKey: BTQJGTGBPQIYNN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1ccc(O)c(NC(=O)NCCc2ccccn2)c1
ACDLabs 12.01c1cccnc1CCNC(Nc2cc(ccc2O)S(=O)(=O)N)=O
OpenEye OEToolkits 2.0.7c1ccnc(c1)CCNC(=O)Nc2cc(ccc2O)S(=O)(=O)N
Name:4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-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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