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BioLiP Library

PDB CCD ID: BNN
Number of entries in BioLiP: 0
Chemical formula: C12 H15 N3 O3
InChI: InChI=1S/C12H15N3O3/c1-7(16)15-10(12(17)18)6-8-2-4-9(5-3-8)11(13)14/h2-5,10H,6H2,1H3,(H3,13,14)(H,15,16)(H,17,18)/t10-/m0/s1
InChIKey: OKWDELZOYQDSQL-JTQLQIEISA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(NC(=O)C)Cc1ccc(cc1)C(=[N@H])N
CACTVS 3.370CC(=O)N[CH](Cc1ccc(cc1)C(N)=N)C(O)=O
OpenEye OEToolkits 1.7.2CC(=O)NC(Cc1ccc(cc1)C(=N)N)C(=O)O
OpenEye OEToolkits 1.7.2[H]/N=C(\c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)C)/N
CACTVS 3.370CC(=O)N[C@@H](Cc1ccc(cc1)C(N)=N)C(O)=O
Name:ACETYL-P-AMIDINOPHENYLALANINE
ZINC: ZINC000006614430
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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