SEQ2FUN

BioLiP

PDB CCD ID: VVT
Number of entries in BioLiP: 1
Chemical formula: C15 H10 Cl N3
InChI: InChI=1S/C15H10ClN3/c16-14-10-13(11-6-8-17-9-7-11)15(19-18-14)12-4-2-1-3-5-12/h1-10H
InChIKey: FHQYQYMBRPYWIY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)c2c(cc(nn2)Cl)c3ccncc3
ACDLabs 12.01Clc2cc(c1ccncc1)c(nn2)c3ccccc3
CACTVS 3.385Clc1cc(c2ccncc2)c(nn1)c3ccccc3
Name:6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine
ChEMBL: CHEMBL4646517
ZINC: ZINC000095909138
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).