SEQ2FUN

BioLiP

PDB CCD ID: JP2
Number of entries in BioLiP: 1
Chemical formula: C7 H5 N5 O3
InChI: InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)9-1-2(10-4)6(14)15/h1H,(H,14,15)(H3,8,10,11,12,13)
InChIKey: NZLJLZVXWBEGCE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC1=NC(=O)c2ncc(nc2N1)C(O)=O
OpenEye OEToolkits 1.7.0c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)O
ACDLabs 12.01O=C(O)c1nc2c(nc1)C(=O)N=C(N)N2
Name:2-amino-4-oxo-1,4-dihydropteridine-7-carboxylic acid
ChEMBL: CHEMBL1738820
ZINC: ZINC000006090930
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).