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BioLiP

PDB CCD ID: IDM
Number of entries in BioLiP: 3
Chemical formula: C8 H9 N
InChI: InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2
InChIKey: LPAGFVYQRIESJQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)CCN2
CACTVS 3.341C1Cc2ccccc2N1
ACDLabs 10.04c1cccc2c1CCN2
Name:INDOLINE
ChEMBL: CHEMBL388803
ZINC: ZINC000000967454
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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