SEQ2FUN

BioLiP

PDB CCD ID: A1C3U
Number of entries in BioLiP: 8
Chemical formula: C12 H10 N2 S
InChI: InChI=1S/C12H10N2S/c1-7-6-10-11(14-12(13)15-10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,13,14)
InChIKey: JQZQMZXXJFFVFE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52Cc1cc2sc(N)nc2c2ccccc12
OpenEye OEToolkits 3.1.0.0Cc1cc2c(c3c1cccc3)nc(s2)N
CACTVS 3.385Cc1cc2sc(N)nc2c3ccccc13
Name:5-methylnaphtho[1,2-d][1,3]thiazol-2-amine
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).