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BioLiP

PDB CCD ID: FIV
Number of entries in BioLiP: 7
Chemical formula: C11 H8 O2
InChI: InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)
InChIKey: UOBYKYZJUGYBDK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c2ccc1c(cccc1)c2
OpenEye OEToolkits 1.7.6c1ccc2cc(ccc2c1)C(=O)O
CACTVS 3.370OC(=O)c1ccc2ccccc2c1
Name:naphthalene-2-carboxylic acid;
2-naphthoic acid
ChEMBL: CHEMBL114648
ZINC: ZINC000000391805
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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