SEQ2FUN

BioLiP

PDB CCD ID: VO1
Number of entries in BioLiP: 1
Chemical formula: C16 H15 N3 O S
InChI: InChI=1S/C16H15N3OS/c1-12-11-21-16(18-12)19-15-14(8-5-9-17-15)20-10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKey: LPJWCRSWBACCSH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1csc(Nc2ncccc2OCc3ccccc3)n1
ACDLabs 12.01n2cccc(OCc1ccccc1)c2Nc3nc(cs3)C
OpenEye OEToolkits 1.7.6Cc1csc(n1)Nc2c(cccn2)OCc3ccccc3
Name:3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
ChEMBL: CHEMBL2430868
ZINC: ZINC000095081166
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).