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BioLiP Library

PDB CCD ID: 4T7
Number of entries in BioLiP: 2
Chemical formula: C12 H12 O2
InChI: InChI=1S/C12H12O2/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-14H,8H2/t12-/m0/s1
InChIKey: QFNOPZNUHSDHKZ-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc2cc(ccc2c1)[C@H](CO)O
CACTVS 3.385OC[C@H](O)c1ccc2ccccc2c1
OpenEye OEToolkits 1.9.2c1ccc2cc(ccc2c1)C(CO)O
ACDLabs 12.01c1c(ccc2c1cccc2)C(CO)O
CACTVS 3.385OC[CH](O)c1ccc2ccccc2c1
Name:(1R)-1-(naphthalen-2-yl)ethane-1,2-diol
ZINC: ZINC000000403247
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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