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BioLiP

PDB CCD ID: UW0
Number of entries in BioLiP: 4
Chemical formula: C19 H24 N O5 P
InChI: InChI=1S/C19H24NO5P/c21-19(20(22)15-7-10-16-8-3-1-4-9-16)14-13-18(26(23,24)25)17-11-5-2-6-12-17/h1-6,8-9,11-12,18,22H,7,10,13-15H2,(H2,23,24,25)/t18-/m0/s1
InChIKey: RTIJODKNBIFSGN-SFHVURJKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ON(CCCc1ccccc1)C(=O)CC[CH](c2ccccc2)[P](O)(O)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCCN(C(=O)CC[C@@H](c2ccccc2)P(=O)(O)O)O
CACTVS 3.385ON(CCCc1ccccc1)C(=O)CC[C@@H](c2ccccc2)[P](O)(O)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCCN(C(=O)CCC(c2ccccc2)P(=O)(O)O)O
Name:[(1~{S})-4-oxidanylidene-4-[oxidanyl(3-phenylpropyl)amino]-1-phenyl-butyl]phosphonic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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