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BioLiP

PDB CCD ID: TSH
Number of entries in BioLiP: 9
Chemical formula: C10 H10 N2
InChI: InChI=1S/C10H10N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,6-7,11-12H,5H2/b11-6-
InChIKey: DCXUMIPCJIGNQW-WDZFZDKYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N=CCc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0[H]N=CCc1c[nH]c2c1cccc2
ACDLabs 10.04[N@H]=CCc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0[H]/N=C\Cc1c[nH]c2c1cccc2
Name:2-(1H-INDOL-3-YL)ETHANIMINE
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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