SEQ2FUN

BioLiP

PDB CCD ID: A1L70
Number of entries in BioLiP: 1
Chemical formula: C25 H36 O6 Si
InChI: InChI=1S/C25H36O6Si/c1-5-25(29,6-2)18-31-21-10-14-23(15-11-21)32(3,4)22-12-8-20(9-13-22)30-17-19(26)7-16-24(27)28/h8-15,19,26,29H,5-7,16-18H2,1-4H3,(H,27,28)/t19-/m1/s1
InChIKey: OWXFCNNGRPVSBM-LJQANCHMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(CC)(COc1ccc(cc1)[Si](C)(C)c2ccc(cc2)OC[C@H](CCC(=O)O)O)O
CACTVS 3.385CCC(O)(CC)COc1ccc(cc1)[Si](C)(C)c2ccc(OC[CH](O)CCC(O)=O)cc2
CACTVS 3.385CCC(O)(CC)COc1ccc(cc1)[Si](C)(C)c2ccc(OC[C@@H](O)CCC(O)=O)cc2
OpenEye OEToolkits 2.0.7CCC(CC)(COc1ccc(cc1)[Si](C)(C)c2ccc(cc2)OCC(CCC(=O)O)O)O
Name:(4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid
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).