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BioLiP

PDB CCD ID: XX1
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N6 O2
InChI: InChI=1S/C11H16N6O2/c12-7(11(18)19)3-1-2-4-13-9-8-10(15-5-14-8)17-6-16-9/h5-7H,1-4,12H2,(H,18,19)(H2,13,14,15,16,17)/t7-/m0/s1
InChIKey: YILGCMSDZVYLCZ-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)ncnc2NCCCCC(C(=O)O)N
CACTVS 3.341N[CH](CCCCNc1ncnc2nc[nH]c12)C(O)=O
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)ncnc2NCCCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCCCNc1ncnc2ncnc12
CACTVS 3.341N[C@@H](CCCCNc1ncnc2nc[nH]c12)C(O)=O
Name:N~6~-7H-PURIN-6-YL-L-LYSINE
ZINC: ZINC000058638948
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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