SEQ2FUN

BioLiP

PDB CCD ID: 6JH
Number of entries in BioLiP: 1
Chemical formula: C17 H11 N3 O S
InChI: InChI=1S/C17H11N3OS/c1-2-5-12(6-3-1)21-16-13(7-4-9-19-16)17-20-14-8-10-18-11-15(14)22-17/h1-11H
InChIKey: BEFVRNYCLDLVCZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc(cc1)Oc2c(cccn2)c3nc4ccncc4s3
CACTVS 3.385O(c1ccccc1)c2ncccc2c3sc4cnccc4n3
ACDLabs 12.01c1ccccc1Oc4c(c3nc2ccncc2s3)cccn4
Name:2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine
ChEMBL: CHEMBL4519588
ZINC: ZINC000584904671
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).