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BioLiP

PDB CCD ID: UBU
Number of entries in BioLiP: 1
Chemical formula: C17 H28 N3 O5 P
InChI: InChI=1S/C17H28N3O5P/c1-4-18-16(21)15(10-13(2)3)20-26(23,24)12-19-17(22)25-11-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,18,21)(H,19,22)(H2,20,23,24)/t15-/m0/s1
InChIKey: AYDYEZVQGYFZKJ-HNNXBMFYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CCNC(=O)C(CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O
CACTVS 3.370CCNC(=O)[CH](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1
ACDLabs 12.01O=C(NCC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
OpenEye OEToolkits 1.7.2CCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O
CACTVS 3.370CCNC(=O)[C@H](CC(C)C)N[P](O)(=O)CNC(=O)OCc1ccccc1
Name:N-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-ethyl-L-leucinamide
ChEMBL: CHEMBL2219861
ZINC: ZINC000095553314
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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