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BioLiP

PDB CCD ID: 781
Number of entries in BioLiP: 1
Chemical formula: C13 H13 N O2
InChI: InChI=1S/C13H13NO2/c1-2-13(16)14-10-6-7-11-9(8-10)4-3-5-12(11)15/h3-8,15H,2H2,1H3,(H,14,16)
InChIKey: IPFXHEAWAKCIPJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCC(=O)Nc1ccc2c(c1)cccc2O
ACDLabs 12.01O=C(Nc2cc1cccc(O)c1cc2)CC
CACTVS 3.385CCC(=O)Nc1ccc2c(O)cccc2c1
Name:N-(5-hydroxynaphthalen-2-yl)propanamide;
N-(5-hydroxynaphthalen-2-yl)prop-2-enamide, bound form
ZINC: ZINC000263620562
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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