SEQ2FUN

BioLiP

PDB CCD ID: BQI
Number of entries in BioLiP: 2
Chemical formula: C12 H12 N6 S
InChI: InChI=1S/C12H12N6S/c1-7-3-4-13-11(16-7)18-12-17-10(8(2)19-12)9-5-14-15-6-9/h3-6H,1-2H3,(H,14,15)(H,13,16,17,18)
InChIKey: MIQNXKWDQRNHAU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1sc(Nc2nccc(C)n2)nc1c3c[nH]nc3
OpenEye OEToolkits 2.0.7Cc1ccnc(n1)Nc2nc(c(s2)C)c3c[nH]nc3
Name:5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;
ADX88178
ChEMBL: CHEMBL3609729
ZINC: ZINC000072188048
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).