SEQ2FUN

BioLiP

PDB CCD ID: KOK
Number of entries in BioLiP: 2
Chemical formula: C11 H10 N4 O
InChI: InChI=1S/C11H10N4O/c16-11(15-8-6-12-13-15)14-7-5-9-3-1-2-4-10(9)14/h1-4,6,8H,5,7H2
InChIKey: YHDLKWQIQYNPEK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)CCN2C(=O)n3ccnn3
CACTVS 3.385O=C(n1ccnn1)N2CCc3ccccc23
ACDLabs 12.01O=C(n1ccnn1)N2c3c(CC2)cccc3
Name:(2,3-dihydro-1H-indol-1-yl)(1H-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).