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BioLiP

PDB CCD ID: 5CR
Number of entries in BioLiP: 12
Chemical formula: C11 H13 N O3
InChI: InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKey: CBQJSKKFNMDLON-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)NC(Cc1ccccc1)C(=O)O
OpenEye OEToolkits 1.7.6CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
CACTVS 3.385CC(=O)N[CH](Cc1ccccc1)C(O)=O
Name:N-acetyl-L-phenylalanine
ChEMBL: CHEMBL55743
ZINC: ZINC000000135391
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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