SEQ2FUN

BioLiP

PDB CCD ID: XC4
Number of entries in BioLiP: 1
Chemical formula: C15 H10 N4 O2
InChI: InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H
InChIKey: YPFWNRLSYPAVJB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)nnn2OC(=O)c3ccc4c(c3)cc[nH]4
CACTVS 3.385O=C(On1nnc2ccccc12)c3ccc4[nH]ccc4c3
ACDLabs 12.01c2cc1nccc1cc2C(=O)On3c4c(nn3)cccc4
Name:1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole
ChEMBL: CHEMBL497141
ZINC: ZINC000049888654
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).