SEQ2FUN

BioLiP

PDB CCD ID: FK1
Number of entries in BioLiP: 2
Chemical formula: C8 H6 Br N
InChI: InChI=1S/C8H6BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
InChIKey: MAWGHOPSCKCTPA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(cc2c1cc[nH]2)Br
ACDLabs 12.01Brc1ccc2c(c1)ncc2
CACTVS 3.385Brc1ccc2cc[nH]c2c1
Name:6-bromo-1H-indole
ChEMBL: CHEMBL3414692
ZINC: ZINC000000039643
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).