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BioLiP

PDB CCD ID: 5AC
Number of entries in BioLiP: 2
Chemical formula: C4 H6 N4 O
InChI: InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
InChIKey: DVNYTAVYBRSTGK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(N)c1ncnc1N
CACTVS 3.341NC(=O)c1nc[nH]c1N
OpenEye OEToolkits 1.5.0c1[nH]c(c(n1)C(=O)N)N
Name:5-amino-1H-imidazole-4-carboxamide
ChEMBL: CHEMBL1610
DrugBank: DB06143
ZINC: ZINC000003861263
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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