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BioLiP

PDB CCD ID: S5V
Number of entries in BioLiP: 2
Chemical formula: C10 H14 O
InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
InChIKey: RECUKUPTGUEGMW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)c1ccc(C)c(O)c1
OpenEye OEToolkits 3.1.0.0Cc1ccc(cc1O)C(C)C
Name:2-methyl-5-propan-2-yl-phenol
ChEMBL: CHEMBL281202
DrugBank: DB16404
ZINC: ZINC000000967563
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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