SEQ2FUN

BioLiP

PDB CCD ID: RPW
Number of entries in BioLiP: 6
Chemical formula: C15 H15 N5 O S2
InChI: InChI=1S/C15H15N5OS2/c1-9-4-3-5-12(17-9)19-15-18-11(8-22-15)6-13(21)20-14-16-7-10(2)23-14/h3-5,7-8H,6H2,1-2H3,(H,16,20,21)(H,17,18,19)
InChIKey: QMRBCNQCRMTXBE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1sc(NC(=O)Cc2csc(Nc3cccc(C)n3)n2)nc1
OpenEye OEToolkits 3.1.0.0Cc1cccc(n1)Nc2nc(cs2)CC(=O)Nc3ncc(s3)C
Name:2-[2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]-~{N}-(5-methyl-1,3-thiazol-2-yl)ethanamide
ChEMBL: CHEMBL5175040
ZINC: ZINC000049029609
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).