SEQ2FUN

BioLiP

PDB CCD ID: WI4
Number of entries in BioLiP: 4
Chemical formula: C13 H10 Cl N5
InChI: InChI=1S/C13H10ClN5/c14-10-5-1-2-6-11(10)17-12-15-9-16-13(18-12)19-7-3-4-8-19/h1-9H,(H,15,16,17,18)
InChIKey: OQHYTNFJMHVUCY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.370		Clc1ccccc1Nc2ncnc(n2)n3cccc3
OpenEye OEToolkits 1.7.6c1ccc(c(c1)Nc2ncnc(n2)n3cccc3)Cl
Name:N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine
ChEMBL: CHEMBL1520731
ZINC: ZINC000000089647
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).