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BioLiP

PDB CCD ID: 0RB
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N9 O2
InChI: InChI=1S/C10H9N9O2/c11-10-16-7-6(9(21)17-10)12-3-5(15-7)8(20)13-1-4-2-14-19-18-4/h2-3H,1H2,(H,13,20)(H,14,18,19)(H3,11,15,16,17,21)
InChIKey: IOLZYHQWMHJFBL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c([nH]nn1)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N
CACTVS 3.370NC1=NC(=O)c2ncc(nc2N1)C(=O)NCc3[nH]nnc3
ACDLabs 12.01O=C(NCc1cnnn1)c2nc3c(nc2)C(=O)N=C(N)N3
Name:2-amino-4-oxo-N-(1H-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide
ChEMBL: CHEMBL2089311
ZINC: ZINC000084759358
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).
  • 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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