SEQ2FUN

BioLiP

PDB CCD ID: KD6
Number of entries in BioLiP: 1
Chemical formula: C8 H5 Br Cl N
InChI: InChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChIKey: SMZUROGBNBCCPT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1cc2[nH]ccc2cc1Br
OpenEye OEToolkits 2.0.7c1c[nH]c2c1cc(c(c2)Cl)Br
Name:5-bromanyl-6-chloranyl-1~{H}-indole
ChEMBL: CHEMBL5202453
ZINC: ZINC000034291469
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).