SEQ2FUN

BioLiP

PDB CCD ID: 11S
Number of entries in BioLiP: 1
Chemical formula: C8 H6 Cl N
InChI: InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKey: MYTGFBZJLDLWQG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc1cc2c(cc1)ncc2
OpenEye OEToolkits 1.5.0c1cc2c(cc[nH]2)cc1Cl
CACTVS 3.341Clc1ccc2[nH]ccc2c1
Name:5-chloro-1H-indole
ChEMBL: CHEMBL555013
ZINC: ZINC000000157082
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).