SEQ2FUN

BioLiP

PDB CCD ID: PJV
Number of entries in BioLiP: 1
Chemical formula: C10 H7 Br N2 O
InChI: InChI=1S/C10H7BrN2O/c11-8-4-1-2-5-9(8)14-10-6-3-7-12-13-10/h1-7H
InChIKey: PESLFQDAIUALFG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(c(c1)Oc2cccnn2)Br
CACTVS 3.385Brc1ccccc1Oc2cccnn2
ACDLabs 12.01c1(Br)ccccc1Oc2cccnn2
Name:3-(2-bromophenoxy)pyridazine
ZINC: ZINC000052815764
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).