SEQ2FUN

BioLiP

PDB CCD ID: L07
Number of entries in BioLiP: 8
Chemical formula: C13 H13 N3 S
InChI: InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15)
InChIKey: NFYMGJSUKCDVJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCCc1sc2c3ccccc3nc(N)c2n1
ACDLabs 12.01n2c1ccccc1c3sc(nc3c2N)CCC
OpenEye OEToolkits 1.7.6CCCc1nc2c(s1)c3ccccc3nc2N
Name:2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine;
CL075;
3M-002
ChEMBL: CHEMBL512901
ZINC: ZINC000040843022
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).