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BioLiP

PDB CCD ID: XHZ
Number of entries in BioLiP: 1
Chemical formula: C13 H8 O2
InChI: InChI=1S/C13H8O2/c1-2-9-3-5-11-10(7-9)4-6-13(15)12(11)8-14/h1,3-8,15H
InChIKey: ZGPOBGPUMFLBIQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C#Cc1cc2ccc(O)c(C=O)c2cc1
OpenEye OEToolkits 2.0.7C#Cc1ccc2c(c1)ccc(c2C=O)O
CACTVS 3.385Oc1ccc2cc(ccc2c1C=O)C#C
Name:6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde
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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