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BioLiP

PDB CCD ID: ITR
Number of entries in BioLiP: 8
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/h1-4,6,12-13H,5H2,(H,14,15)/b12-9-
InChIKey: LKYWXXAVLLVJAS-XFXZXTDPSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=[N@H])Cc2c1ccccc1nc2
CACTVS 3.341OC(=O)C(=N)Cc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(=N)C(=O)O
Name:IMINO-TRYPTOPHAN
DrugBank: DB02988
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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