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BioLiP

PDB CCD ID: CRS
Number of entries in BioLiP: 14
Chemical formula: C7 H8 O
InChI: InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChIKey: RLSSMJSEOOYNOY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Oc1cc(ccc1)C
OpenEye OEToolkits 1.5.0Cc1cccc(c1)O
CACTVS 3.341Cc1cccc(O)c1
Name:M-CRESOL
ChEMBL: CHEMBL298312
DrugBank: DB01776
ZINC: ZINC000000897141
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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