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BioLiP

PDB CCD ID: TRY
Number of entries in BioLiP: 0
Chemical formula: C11 H10 N2 O2
InChI: InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-6,13H,12H2,(H,14,15)/b9-5-
InChIKey: HXAJMKJPBQFASJ-UITAMQMPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc2c(c1)c(c[nH]2)C=C(C(=O)O)N
OpenEye OEToolkits 1.7.2c1ccc2c(c1)c(c[nH]2)/C=C(/C(=O)O)\N
CACTVS 3.370N\C(=C/c1c[nH]c2ccccc12)C(O)=O
ACDLabs 12.01O=C(O)/C(N)=C/c2c1ccccc1nc2
CACTVS 3.370NC(=Cc1c[nH]c2ccccc12)C(O)=O
Name:(2Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid
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).
  • 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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