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BioLiP

PDB CCD ID: I1S
Number of entries in BioLiP: 6
Chemical formula: C16 H18 N O5 P
InChI: InChI=1S/C16H18NO5P/c18-16(22-12-14-9-5-2-6-10-14)17-15(23(19,20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,17,18)(H2,19,20,21)/t15-/m0/s1
InChIKey: VSULGWZITIYPLP-HNNXBMFYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC(NC(=O)OCc2ccccc2)P(=O)(O)O
ACDLabs 12.01O=P(O)(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2
CACTVS 3.370O[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)C[C@@H](NC(=O)OCc2ccccc2)P(=O)(O)O
CACTVS 3.370O[P](O)(=O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2
Name:[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid
ZINC: ZINC000098209015
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)(download the PDF file).
  • 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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