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BioLiP

PDB CCD ID: JP3
Number of entries in BioLiP: 1
Chemical formula: C12 H10 N6 O3
InChI: InChI=1S/C12H10N6O3/c13-12-17-9-8(11(20)18-12)14-5-7(16-9)10(19)15-4-6-2-1-3-21-6/h1-3,5H,4H2,(H,15,19)(H3,13,16,17,18,20)
InChIKey: UUEDARIHQQJVFX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC1=Nc2nc(cnc2C(=O)N1)C(=O)NCc3occc3
OpenEye OEToolkits 1.7.0c1cc(oc1)CNC(=O)c2cnc3c(n2)N=C(NC3=O)N
ACDLabs 12.01O=C(NCc1occc1)c2nc3N=C(N)NC(=O)c3nc2
Name:2-amino-N-(furan-2-ylmethyl)-4-oxo-3,4-dihydropteridine-7-carboxamide
ChEMBL: CHEMBL1738821
ZINC: ZINC000066156890
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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