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BioLiP

PDB CCD ID: 5NE
Number of entries in BioLiP: 1
Chemical formula: C12 H10 O2
InChI: InChI=1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey: VLEZTIKHFUAVRK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4Cc1cccc2c1cccc2C(=O)O
CACTVS 3.385Cc1cccc2c1cccc2C(O)=O
ACDLabs 12.01O=C(O)c1cccc2c1cccc2C
Name:5-methylnaphthalene-1-carboxylic acid
ZINC: ZINC000039649381
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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