SEQ2FUN

BioLiP

PDB CCD ID: 4YI
Number of entries in BioLiP: 1
Chemical formula: C19 H15 Cl N4 O2
InChI: InChI=1S/C19H15ClN4O2/c1-26-17-12-13(23-24-18-8-4-5-11-21-18)9-10-16(17)22-19(25)14-6-2-3-7-15(14)20/h2-12H,1H3,(H,22,25)/b24-23+
InChIKey: JJRNGNCTPCWXGM-WCWDXBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COc1cc(ccc1NC(=O)c2ccccc2Cl)N=Nc3ccccn3
OpenEye OEToolkits 2.0.7COc1cc(ccc1NC(=O)c2ccccc2Cl)/N=N/c3ccccn3
Name:2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide
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).