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BioLiP

PDB CCD ID: JZ2
Number of entries in BioLiP: 1
Chemical formula: C7 H7 Cl O
InChI: InChI=1S/C7H7ClO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3
InChIKey: KKFPXGXMSBBNJI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1ccc(Cl)cc1O
ACDLabs 12.01Clc1cc(O)c(cc1)C
OpenEye OEToolkits 1.7.0Cc1ccc(cc1O)Cl
Name:5-chloro-2-methylphenol
ZINC: ZINC000000158233
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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