SEQ2FUN

BioLiP

PDB CCD ID: A1C3Q
Number of entries in BioLiP: 10
Chemical formula: C11 H8 N2 S
InChI: InChI=1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13)
InChIKey: FECQXVPRUCCUIL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52Nc1nc2c(ccc3ccccc32)s1
CACTVS 3.385Nc1sc2ccc3ccccc3c2n1
OpenEye OEToolkits 3.1.0.0c1ccc2c(c1)ccc3c2nc(s3)N
Name:naphtho[1,2-d][1,3]thiazol-2-amine
ChEMBL: CHEMBL1709719
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).