SEQ2FUN

BioLiP

PDB CCD ID: IPB
Number of entries in BioLiP: 7
Chemical formula: C10 H14 O
InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
InChIKey: MGSRCZKZVOBKFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)c1ccc(C)cc1O
OpenEye OEToolkits 1.5.0Cc1ccc(c(c1)O)C(C)C
ACDLabs 10.04Oc1cc(ccc1C(C)C)C
Name:5-METHYL-2-(1-METHYLETHYL)PHENOL
ChEMBL: CHEMBL29411
DrugBank: DB02513
ZINC: ZINC000000967597
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).