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BioLiP

PDB CCD ID: K7L
Number of entries in BioLiP: 3
Chemical formula: C6 H5 N3 O2
InChI: InChI=1S/C6H5N3O2/c10-4-3-5(11)9-2-1-7-6(9)8-4/h1-3,11H,(H,7,8,10)
InChIKey: BELWUABPSOOYPK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Oc1nc2nccn2c(O)c1
OpenEye OEToolkits 2.0.7c1cn2c(cc(nc2n1)O)O
CACTVS 3.385Oc1cc(O)n2ccnc2n1
Name:(4S)-imidazo[1,2-a]pyrimidine-5,7-diol
ZINC: ZINC000100006169
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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