SEQ2FUN

BioLiP

PDB CCD ID: 6FP
Number of entries in BioLiP: 4
Chemical formula: C7 H5 N5 O2
InChI: InChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2H,(H3,8,9,11,12,14)
InChIKey: LLJAQDVNMGLRBD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC1=Nc2ncc(C=O)nc2C(=O)N1
ACDLabs 12.01O=Cc2nc1c(N=C(N)NC1=O)nc2
OpenEye OEToolkits 1.7.6c1c(nc2c(n1)N=C(NC2=O)N)C=O
Name:2-amino-4-oxo-3,4-dihydropteridine-6-carbaldehyde;
6-formylpterin
ChEMBL: CHEMBL3314206
ZINC: ZINC000013525580
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).