SEQ2FUN

BioLiP

PDB CCD ID: HHS
Number of entries in BioLiP: 3
Chemical formula: C7 H5 N5 O3
InChI: InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13)
InChIKey: QABAUCFGPWONOG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(nc2c(n1)N=C(NC2=O)N)C(=O)O
CACTVS 3.341NC1=Nc2ncc(nc2C(=O)N1)C(O)=O
ACDLabs 10.04O=C(O)c1nc2C(=O)NC(=Nc2nc1)N
Name:6-CARBOXYPTERIN;
2-amino-4-oxo-3,4-dihydropteridine-6-carboxylic acid
ChEMBL: CHEMBL566727
ZINC: ZINC000005127809
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).