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BioLiP

PDB CCD ID: 2BP
Number of entries in BioLiP: 0
Chemical formula: C5 H5 N5
InChI: InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)
InChIKey: MWBWWFOAEOYUST-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1cc2ncnc2nc1N
OpenEye OEToolkits 1.5.0c1c2c([nH]cn2)nc(n1)N
CACTVS 3.341Nc1ncc2nc[nH]c2n1
Name:9H-purin-2-amine;
2-AMINOPURINE
ChEMBL: CHEMBL388594
ZINC: ZINC000018544062
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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