SEQ2FUN

BioLiP

PDB CCD ID: IB0
Number of entries in BioLiP: 3
Chemical formula: C12 H12 N4 O
InChI: InChI=1S/C12H12N4O/c1-9-3-2-4-10-5-7-15(11(9)10)12(17)16-8-6-13-14-16/h2-4,6,8H,5,7H2,1H3
InChIKey: SKGYNFOODZJUGQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cccc2CCN(C(=O)n3ccnn3)c12
OpenEye OEToolkits 2.0.7Cc1cccc2c1N(CC2)C(=O)n3ccnn3
Name:(7-methyl-2,3-dihydroindol-1-yl)-(1,2,3-triazol-1-yl)methanone
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).