SEQ2FUN

BioLiP

PDB CCD ID: H4N
Number of entries in BioLiP: 4
Chemical formula: C8 H6 Br N
InChI: InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKey: VXWVFZFZYXOBTA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc[nH]2)cc1Br
CACTVS 3.385Brc1ccc2[nH]ccc2c1
Name:5-bromanyl-1~{H}-indole
ChEMBL: CHEMBL325917
ZINC: ZINC000000081120
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).