SEQ2FUN

BioLiP

PDB CCD ID: JUS
Number of entries in BioLiP: 9
Chemical formula: C19 H21 N O2
InChI: InChI=1S/C19H21NO2/c1-2-3-4-5-8-15-11-12-19(17(21)13-15)22-18-10-7-6-9-16(18)14-20/h6-7,9-13,21H,2-5,8H2,1H3
InChIKey: RPZKERMNVCALKE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCCCCCc1ccc(Oc2ccccc2C#N)c(O)c1
OpenEye OEToolkits 1.7.6CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N
ACDLabs 12.01N#Cc2c(Oc1ccc(cc1O)CCCCCC)cccc2
Name:2-(2-CYANOPHENOXY)-5-HEXYLPHENOL
ChEMBL: CHEMBL3360252
ZINC: ZINC000095921221
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).