SEQ2FUN

BioLiP

PDB CCD ID: 1IE
Number of entries in BioLiP: 7
Chemical formula: C19 H16 N2 S
InChI: InChI=1S/C19H16N2S/c1-22-14-7-4-6-13(12-14)20-19-15-8-2-3-10-17(15)21-18-11-5-9-16(18)19/h2-12,20-21H,1H3
InChIKey: ZMQQEACDZCVCPK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CSc1cccc(Nc2c3ccccc3[nH]c4cccc24)c1
OpenEye OEToolkits 2.0.7CSc1cccc(c1)Nc2c3ccccc3[nH]c-4cccc24
Name:~{N}-(3-methylsulfanylphenyl)-4~{H}-cyclopenta[b]quinolin-9-amine
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).