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BioLiP

PDB CCD ID: VTG
Number of entries in BioLiP: 4
Chemical formula: C8 H10 O
InChI: InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
InChIKey: KMTDMTZBNYGUNX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(ccc(cc1)C)CO
CACTVS 3.385Cc1ccc(CO)cc1
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)CO
Name:(4-methylphenyl)methanol;
4-methylbenzyl alcohol
ChEMBL: CHEMBL90100
ZINC: ZINC000000896402
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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