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BioLiP

PDB CCD ID: X32
Number of entries in BioLiP: 1
Chemical formula: C24 H32 N3 O7 P
InChI: InChI=1S/C24H32N3O7P/c1-17(2)13-20(22(28)26-21(23(29)30)14-18-9-5-3-6-10-18)27-35(32,33)16-25-24(31)34-15-19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3,(H,25,31)(H,26,28)(H,29,30)(H2,27,32,33)/t20-,21-/m0/s1
InChIKey: LSBJYKCMZGPGPG-SFTDATJTSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](Cc2ccccc2)C(O)=O
OpenEye OEToolkits 1.7.6CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O
CACTVS 3.370CC(C)C[C@H](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(O)=O
ACDLabs 12.01O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)Cc2ccccc2
OpenEye OEToolkits 1.7.6CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O
Name:N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-phenylalanine
ChEMBL: CHEMBL3559407
ZINC: ZINC000013651482
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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