SEQ2FUN

BioLiP

PDB CCD ID: A6H
Number of entries in BioLiP: 1
Chemical formula: C11 H8 Cl2 N2 O
InChI: InChI=1S/C11H8Cl2N2O/c12-8-2-1-3-9(13)11(8)16-10-5-4-7(14)6-15-10/h1-6H,14H2
InChIKey: YNVFZWPRJYWBOP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(c(c1)Cl)Oc2ccc(cn2)N)Cl
CACTVS 3.385Nc1ccc(Oc2c(Cl)cccc2Cl)nc1
Name:6-[2,6-bis(chloranyl)phenoxy]pyridin-3-amine
ChEMBL: CHEMBL1496674
ZINC: ZINC000000166489
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).