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BioLiP

PDB CCD ID: PPZ
Number of entries in BioLiP: 0
Chemical formula: C11 H11 N5 O
InChI: InChI=1S/C11H11N5O/c17-6-4-12-10-9-11(14-7-13-10)16-5-2-1-3-8(16)15-9/h1-3,5,7,17H,4,6H2,(H,12,13,14)
InChIKey: QBILBVYKWQWDQJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OCCNc1ncnc2n3ccccc3nc12
ACDLabs 10.04OCCNc3ncnc2c3nc1ccccn12
OpenEye OEToolkits 1.5.0c1ccn2c(c1)nc3c2ncnc3NCCO
Name:2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL
DrugBank: DB01994
ZINC: ZINC000003581236
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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