SEQ2FUN

BioLiP

PDB CCD ID: A1L41
Number of entries in BioLiP: 4
Chemical formula: C20 H26 N O5 P
InChI: InChI=1S/C20H26NO5P/c22-20(21(23)16-8-7-11-17-9-3-1-4-10-17)15-14-19(27(24,25)26)18-12-5-2-6-13-18/h1-6,9-10,12-13,19,23H,7-8,11,14-16H2,(H2,24,25,26)/t19-/m0/s1
InChIKey: SWCCBIBBKRWVBN-IBGZPJMESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCCCN(C(=O)CC[C@@H](c2ccccc2)P(=O)(O)O)O
CACTVS 3.385ON(CCCCc1ccccc1)C(=O)CC[CH](c2ccccc2)[P](O)(O)=O
CACTVS 3.385ON(CCCCc1ccccc1)C(=O)CC[C@@H](c2ccccc2)[P](O)(O)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCCCN(C(=O)CCC(c2ccccc2)P(=O)(O)O)O
Name:[(1~{S})-4-oxidanylidene-4-[oxidanyl(4-phenylbutyl)amino]-1-phenyl-butyl]phosphonic 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).