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BioLiP

PDB CCD ID: EH9
Number of entries in BioLiP: 5
Chemical formula: C14 H23 N5 O
InChI: InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1
InChIKey: IOSAAWHGJUZBOG-WDEREUQCSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1c(c2ncn(c2nc1)C(CCCCCC)C(O)C)N
OpenEye OEToolkits 1.5.0CCCCCCC(C(C)O)n1cnc2c1ncnc2N
OpenEye OEToolkits 1.5.0CCCCCC[C@H]([C@H](C)O)n1cnc2c1ncnc2N
CACTVS 3.341CCCCCC[CH]([CH](C)O)n1cnc2c(N)ncnc12
CACTVS 3.341CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
Name:(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol;
Erythro-9-[3-(2-hydroxynonyl)] adenine;
EHNA
ChEMBL: CHEMBL296435
DrugBank: DB07711
ZINC: ZINC000001558334
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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