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BioLiP

PDB CCD ID: 2LP
Number of entries in BioLiP: 3
Chemical formula: C9 H10 O
InChI: InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
InChIKey: QIRNGVVZBINFMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=CCc1ccccc1O
CACTVS 3.341Oc1ccccc1CC=C
ACDLabs 10.04Oc1ccccc1C/C=C
Name:2-ALLYLPHENOL
ChEMBL: CHEMBL1229950
DrugBank: DB02534
ZINC: ZINC000001576883
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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