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BioLiP

PDB CCD ID: 8JX
Number of entries in BioLiP: 1
Chemical formula: C16 H19 N O5 S
InChI: InChI=1S/C16H19NO5S/c1-22-14-9-10-15(13-7-3-2-6-12(13)14)23(20,21)17-11-5-4-8-16(18)19/h2-3,6-7,9-10,17H,4-5,8,11H2,1H3,(H,18,19)
InChIKey: ZPHHWDJVJHTZHN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccc(c2c1cccc2)S(=O)(=O)NCCCCC(=O)O
CACTVS 3.385COc1ccc(c2ccccc12)[S](=O)(=O)NCCCCC(O)=O
Name:5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid
ChEMBL: CHEMBL4292481
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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