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BioLiP

PDB CCD ID: O2A
Number of entries in BioLiP: 17
Chemical formula: C10 H10 N2 O
InChI: InChI=1S/C10H10N2O/c1-11-10(13)8-4-2-3-7-5-6-12-9(7)8/h2-6,12H,1H3,(H,11,13)
InChIKey: OKVUYVXDTGOYRU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNC(=O)c1cccc2cc[nH]c12
OpenEye OEToolkits 2.0.6CNC(=O)c1cccc2c1[nH]cc2
ACDLabs 12.01N(C(c2cccc1ccnc12)=O)C
Name:N-methyl-1H-indole-7-carboxamide
ChEMBL: CHEMBL4576940
ZINC: ZINC000076189815
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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