SEQ2FUN

BioLiP

PDB CCD ID: HLN
Number of entries in BioLiP: 3
Chemical formula: C16 H21 O3 P
InChI: InChI=1S/C16H21O3P/c1-2-3-4-7-12-20(17,18)19-16-11-10-14-8-5-6-9-15(14)13-16/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,17,18)
InChIKey: UBECMGZHZQOIIW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCP(=O)(O)Oc1ccc2ccccc2c1
CACTVS 3.370CCCCCC[P](O)(=O)Oc1ccc2ccccc2c1
ACDLabs 12.01O=P(O)(Oc2ccc1c(cccc1)c2)CCCCCC
Name:hexyl(naphthalen-2-yloxy)phosphinic acid
ZINC: ZINC000098208994
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).