SEQ2FUN

BioLiP

PDB CCD ID: UX2
Number of entries in BioLiP: 4
Chemical formula: C13 H8 Cl N5 O
InChI: InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
InChIKey: MSJODEOZODDVGW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1nc2ccc(Cl)cc2c3nc(nn13)c4occc4
OpenEye OEToolkits 2.0.7c1cc(oc1)c2nc3c4cc(ccc4nc(n3n2)N)Cl
Name:9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
ChEMBL: CHEMBL16687
ZINC: ZINC000003872013
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).