SEQ2FUN

BioLiP

PDB CCD ID: RC6
Number of entries in BioLiP: 1
Chemical formula: C10 H10 Cl N O
InChI: InChI=1S/C10H10ClNO/c1-7(13)12-6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-6H2,1H3
InChIKey: PRQBPDDBVHPKIP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)N1CCc2c(Cl)cccc12
OpenEye OEToolkits 3.1.0.0CC(=O)N1CCc2c1cccc2Cl
Name:1-(4-chloranyl-2,3-dihydroindol-1-yl)ethanone
ZINC: ZINC000165458219
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).