SEQ2FUN

BioLiP

PDB CCD ID: 926
Number of entries in BioLiP: 1
Chemical formula: C15 H13 N3 O S
InChI: InChI=1S/C15H13N3OS/c1-18-9-8-16-15(18)20-12-5-2-4-11(10-12)13-6-3-7-14(19)17-13/h2-10H,1H3,(H,17,19)
InChIKey: YYWBGPHQPMDZEM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1C=CC=C(N1)c3cc(Sc2nccn2C)ccc3
CACTVS 3.385
OpenEye OEToolkits 1.7.6		Cn1ccnc1Sc2cccc(c2)C3=CC=CC(=O)N3
Name:6-{3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1H)-one
ChEMBL: CHEMBL2408108
ZINC: ZINC000095921436
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).