SEQ2FUN

BioLiP

PDB CCD ID: CLZ
Number of entries in BioLiP: 2
Chemical formula: C8 H8 Cl N5
InChI: InChI=1S/C8H8ClN5/c9-6-3(10)1-2-4-5(6)7(11)14-8(12)13-4/h1-2H,10H2,(H4,11,12,13,14)
InChIKey: JZWXVYNQIJJTKF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1nc(N)c2c(Cl)c(N)ccc2n1
OpenEye OEToolkits 2.0.7c1cc2c(c(c1N)Cl)c(nc(n2)N)N
ACDLabs 12.01Nc1nc(N)nc2ccc(N)c(Cl)c21
Name:5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE
ChEMBL: CHEMBL6708
ZINC: ZINC000013282329
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).