SEQ2FUN

BioLiP

PDB CCD ID: 5XQ
Number of entries in BioLiP: 1
Chemical formula: C16 H16 N4 O2 S2
InChI: InChI=1S/C16H16N4O2S2/c1-9-14(24-16(17-9)18-10(2)21)12-8-23-15(20-12)19-11-6-4-5-7-13(11)22-3/h4-8H,1-3H3,(H,19,20)(H,17,18,21)
InChIKey: ZADCDCMLLGDCRM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccccc1Nc2scc(n2)c3sc(NC(C)=O)nc3C
OpenEye OEToolkits 2.0.4Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccccc3OC
Name:~{N}-[5-[2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide
ChEMBL: CHEMBL4517346
ZINC: ZINC000000853327
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).