SEQ2FUN

BioLiP

PDB CCD ID: 1LW
Number of entries in BioLiP: 1
Chemical formula: C11 H12 N2 S
InChI: InChI=1S/C11H12N2S/c12-10-7-3-1-2-4-9(7)13-11-8(10)5-6-14-11/h5-6H,1-4H2,(H2,12,13)
InChIKey: PMWMMNQYOBSEDT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1csc2c1c(c3c(n2)CCCC3)N
CACTVS 3.370Nc1c2CCCCc2nc3sccc13
ACDLabs 12.01n1c3c(c(c2c1scc2)N)CCCC3
Name:5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine
ChEMBL: CHEMBL3605836
ZINC: ZINC000000346401
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).