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BioLiP

PDB CCD ID: HNG
Number of entries in BioLiP: 0
Chemical formula: C7 H9 N5 O
InChI: InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)
InChIKey: MEYMBLGOKYDGLZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCc1c[nH]c2NC(=NC(=O)c12)N
OpenEye OEToolkits 2.0.6c1c(c2c([nH]1)NC(=NC2=O)N)CN
ACDLabs 12.01N2=C(Nc1ncc(c1C2=O)CN)N
Name:2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one;
PreQ1
ChEMBL: CHEMBL1235432
DrugBank: DB03304
ZINC: ZINC000003869370
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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