SEQ2FUN

BioLiP

PDB CCD ID: MLW
Number of entries in BioLiP: 3
Chemical formula: C13 H8 Cl N O
InChI: InChI=1S/C13H8ClNO/c14-9-5-3-4-8-12-10(15-13(8)9)6-1-2-7-11(12)16/h1-7,15H
InChIKey: BBOUTVQTMMUARP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c3c([nH]c2c(c1)Cl)C=CC=CC3=O
CACTVS 3.385Clc1cccc2c1[nH]c3C=CC=CC(=O)c23
Name:4-chloranyl-5~{H}-cyclohepta[b]indol-10-one
ChEMBL: CHEMBL5186380
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).