SEQ2FUN

BioLiP

PDB CCD ID: 27L
Number of entries in BioLiP: 2
Chemical formula: C14 H22 O
InChI: InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
InChIKey: ISAVYTVYFVQUDY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)(C)CC(C)(C)c1ccc(cc1)O
CACTVS 3.385CC(C)(C)CC(C)(C)c1ccc(O)cc1
ACDLabs 12.01Oc1ccc(cc1)C(CC(C)(C)C)(C)C
Name:4-(2,4,4-trimethylpentan-2-yl)phenol
ChEMBL: CHEMBL259327
ZINC: ZINC000001686938
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).