SEQ2FUN

BioLiP

PDB CCD ID: EQX
Number of entries in BioLiP: 2
Chemical formula: C14 H14 N6 O3
InChI: InChI=1S/C14H14N6O3/c1-8-15-13-9-4-2-3-5-10(9)16-14(20(13)19-8)18-17-11(21)6-7-12(22)23/h2-5H,6-7H2,1H3,(H,16,18)(H,17,21)(H,22,23)
InChIKey: JYHOPYYRJYRCCN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1nc2c3ccccc3nc(n2n1)NNC(=O)CCC(=O)O
CACTVS 3.385Cc1nn2c(NNC(=O)CCC(O)=O)nc3ccccc3c2n1
Name:4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid
ChEMBL: CHEMBL1397063
ZINC: ZINC000000251425
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).