SEQ2FUN

BioLiP

PDB CCD ID: A1CRZ
Number of entries in BioLiP: 1
Chemical formula: C19 H12 Cl N3
InChI: InChI=1S/C19H12ClN3/c20-18-12-17(14-7-9-21-10-8-14)19(23-22-18)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H
InChIKey: XWQSPVNHITVMSG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc2cc(ccc2c1)c3c(cc(nn3)Cl)c4ccncc4
CACTVS 3.385Clc1cc(c2ccncc2)c(nn1)c3ccc4ccccc4c3
ACDLabs 14.52Clc1cc(c(nn1)c1ccc2ccccc2c1)c1ccncc1
Name:(3P)-6-chloro-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
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).