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BioLiP

PDB CCD ID: 43M
Number of entries in BioLiP: 1
Chemical formula: C7 H7 Cl O
InChI: InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
InChIKey: CFKMVGJGLGKFKI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc(ccc1Cl)O
CACTVS 3.341Cc1cc(O)ccc1Cl
ACDLabs 10.04Clc1ccc(O)cc1C
Name:4-CHLORO-3-METHYLPHENOL
ChEMBL: CHEMBL1230222
DrugBank: DB16864
ZINC: ZINC000000001124
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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