SEQ2FUN

BioLiP

PDB CCD ID: 5PP
Number of entries in BioLiP: 14
Chemical formula: C17 H20 O2
InChI: InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3
InChIKey: OJLYTHOKCYLPMA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCc1ccc(Oc2ccccc2)c(O)c1
OpenEye OEToolkits 1.5.0CCCCCc1ccc(c(c1)O)Oc2ccccc2
ACDLabs 10.04O(c1ccccc1)c2ccc(cc2O)CCCCC
Name:5-PENTYL-2-PHENOXYPHENOL
ChEMBL: CHEMBL1224745
DrugBank: DB07178
ZINC: ZINC000014961108
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).