SEQ2FUN

BioLiP

PDB CCD ID: 4KH
Number of entries in BioLiP: 2
Chemical formula: C15 H10 F N3 O S
InChI: InChI=1S/C15H10FN3OS/c16-12-4-2-1-3-11(12)14(20)19-15-18-13(9-21-15)10-5-7-17-8-6-10/h1-9H,(H,18,19,20)
InChIKey: OVEKVWJGWABLNU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c3c(c2nc(NC(c1c(cccc1)F)=O)sc2)ccnc3
OpenEye OEToolkits 1.9.2c1ccc(c(c1)C(=O)Nc2nc(cs2)c3ccncc3)F
CACTVS 3.385Fc1ccccc1C(=O)Nc2scc(n2)c3ccncc3
Name:2-fluoro-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide
ChEMBL: CHEMBL3581115
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).