SEQ2FUN

BioLiP

PDB CCD ID: JAW
Number of entries in BioLiP: 5
Chemical formula: C9 H8 N2 O
InChI: InChI=1S/C9H8N2O/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,(H2,10,12)
InChIKey: GQMYQEAXTITUAE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1ccc2[nH]ccc2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc[nH]2)cc1C(=O)N
Name:1~{H}-indole-5-carboxamide
ChEMBL: CHEMBL1435541
ZINC: ZINC000013816304
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).