SEQ2FUN

BioLiP

PDB CCD ID: 56K
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 S
InChI: InChI=1S/C10H10N2S/c1-7-12-10(6-13-7)8-3-2-4-9(11)5-8/h2-6H,11H2,1H3
InChIKey: CPHZPWZSSBCSAH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1nc(cs1)c2cccc(c2)N
CACTVS 3.385Cc1scc(n1)c2cccc(N)c2
ACDLabs 12.01c1cc(cc(c1)c2csc(n2)C)N
Name:3-(2-methyl-1,3-thiazol-4-yl)aniline
ChEMBL: CHEMBL1412409
ZINC: ZINC000000158916
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).