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BioLiP Library

PDB CCD ID: NPQ
Number of entries in BioLiP: 10
Chemical formula: C15 H15 N O3
InChI: InChI=1S/C15H15NO3/c1-10(17)16-14(15(18)19)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14H,9H2,1H3,(H,16,17)(H,18,19)/t14-/m0/s1
InChIKey: HGTIILKZSFKZMS-AWEZNQCLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O
OpenEye OEToolkits 1.7.6CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O
CACTVS 3.385CC(=O)N[CH](Cc1ccc2ccccc2c1)C(O)=O
CACTVS 3.385CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Name:N-acetyl naphthylalanine
ZINC: ZINC000000128209
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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