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BioLiP

PDB CCD ID: UG4
Number of entries in BioLiP: 0
Chemical formula: C9 H9 N5 O
InChI: InChI=1S/C9H9N5O/c10-8-7(9(11)15)13-5-14(8)6-2-1-3-12-4-6/h1-5H,10H2,(H2,11,15)
InChIKey: WZVCHXNAUQIDJM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cnc1)n2cnc(c2N)C(=O)N
ACDLabs 12.01c1(cccnc1)n2c(c(nc2)C(N)=O)N
CACTVS 3.385NC(=O)c1ncn(c2cccnc2)c1N
Name:5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide
ZINC: ZINC000098209728
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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