SEQ2FUN

BioLiP

PDB CCD ID: 1P8
Number of entries in BioLiP: 6
Chemical formula: C8 H6 Br N O
InChI: InChI=1S/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
InChIKey: JARRYVQFBQVOBE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Brc1ccc2c(c1)NC(=O)C2
OpenEye OEToolkits 1.7.6c1cc2c(cc1Br)NC(=O)C2
CACTVS 3.370Brc1ccc2CC(=O)Nc2c1
Name:6-bromo-1,3-dihydro-2H-indol-2-one
ChEMBL: CHEMBL2381492
ZINC: ZINC000002577874
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).