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BioLiP

PDB CCD ID: P4D
Number of entries in BioLiP: 1
Chemical formula: C13 H18 N O7 P
InChI: InChI=1S/C13H18NO7P/c14-11(5-8-1-3-10(15)4-2-8)22(20,21)7-9(13(18)19)6-12(16)17/h1-4,9,11,15H,5-7,14H2,(H,16,17)(H,18,19)(H,20,21)/t9-,11+/m0/s1
InChIKey: UESSIRUCJXFQBC-GXSJLCMTSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1cc(ccc1C[C@H](N)P(=O)(C[C@H](CC(=O)O)C(=O)O)O)O
CACTVS 3.370N[C@@H](Cc1ccc(O)cc1)[P](O)(=O)C[C@H](CC(O)=O)C(O)=O
CACTVS 3.370N[CH](Cc1ccc(O)cc1)[P](O)(=O)C[CH](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C(CC(=O)O)CP(=O)(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.7.2c1cc(ccc1CC(N)P(=O)(CC(CC(=O)O)C(=O)O)O)O
Name:(2R)-2-{[(S)-[(1R)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid;
L-TYR-D-ASP PHOSPHINATE PSEUDODIPEPTIDE
ZINC: ZINC000066166520
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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