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BioLiP Library

PDB CCD ID: 7RT
Number of entries in BioLiP: 2
Chemical formula: C10 H10 N2 O
InChI: InChI=1S/C10H10N2O/c1-11-10(13)8-3-2-4-9-7(8)5-6-12-9/h2-6,12H,1H3,(H,11,13)
InChIKey: SLFIWTNAKPDBJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)c1cccc2c1cc[nH]2
CACTVS 3.385CNC(=O)c1cccc2[nH]ccc12
Name:N-methyl-1H-indole-4-carboxamide
ZINC: ZINC000036164893
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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