SEQ2FUN

BioLiP

PDB CCD ID: A1L8E
Number of entries in BioLiP: 1
Chemical formula: C39 H50 N O3 P
InChI: InChI=1S/C39H50NO3P/c1-33-32-34(41)27-28-37(33)39(42)43-30-20-10-8-6-4-2-3-5-7-9-11-21-31-44(35-22-14-12-15-23-35,36-24-16-13-17-25-36)38-26-18-19-29-40-38/h12-19,22-29,32,41,44H,2-11,20-21,30-31H2,1H3
InChIKey: XOLHROXNDQJWIB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(ccc1C(=O)OCCCCCCCCCCCCCCP(c2ccccc2)(c3ccccc3)c4ccccn4)O
CACTVS 3.385Cc1cc(O)ccc1C(=O)OCCCCCCCCCCCCCC[PH](c2ccccc2)(c3ccccc3)c4ccccn4
Name:14-[diphenyl(pyridin-2-yl)-$l^{5}-phosphanyl]tetradecyl 2-methyl-4-oxidanyl-benzoate
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).