SEQ2FUN

BioLiP

PDB CCD ID: A1BG2
Number of entries in BioLiP: 1
Chemical formula: C16 H13 N3 O S
InChI: InChI=1S/C16H13N3OS/c1-11-10-17-6-5-14(11)19-15(20)12-3-2-4-13(9-12)16-18-7-8-21-16/h2-10H,1H3,(H,17,19,20)
InChIKey: HFFACLLXIVKSBM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1cnccc1NC(=O)c2cccc(c2)c3nccs3
ACDLabs 14.52Cc1cnccc1NC(=O)c1cccc(c1)c1nccs1
CACTVS 3.385Cc1cnccc1NC(=O)c2cccc(c2)c3sccn3
Name:N-(3-methylpyridin-4-yl)-3-(1,3-thiazol-2-yl)benzamide
ChEMBL: CHEMBL5599117
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).