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BioLiP

PDB CCD ID: VLT
Number of entries in BioLiP: 0
Chemical formula: C11 H13 N O3
InChI: InChI=1S/C11H13NO3/c12-9(3-6-11(14)15)7-8-1-4-10(13)5-2-8/h1-6,9,13H,7,12H2,(H,14,15)/b6-3+/t9-/m1/s1
InChIKey: ZAFPASBXHDOXMD-BSPAPZMXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[CH](Cc1ccc(O)cc1)C=CC(O)=O
OpenEye OEToolkits 1.7.0c1cc(ccc1CC(C=CC(=O)O)N)O
CACTVS 3.370N[C@@H](Cc1ccc(O)cc1)\C=C\C(O)=O
ACDLabs 12.01O=C(O)\C=C\C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.7.0c1cc(ccc1C[C@@H](/C=C/C(=O)O)N)O
Name:(2E,4S)-4-amino-5-(4-hydroxyphenyl)pent-2-enoic acid
ZINC: ZINC000098209529
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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