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BioLiP

PDB CCD ID: 3GU
Number of entries in BioLiP: 1
Chemical formula: C15 H21 N5 O4
InChI: InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
InChIKey: SQMWSBKSHWARHU-SDBHATRESA-N
SMILES:
SoftwareSMILES
CACTVS 3.352OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NC4CCCC4)ncnc23
CACTVS 3.352OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NC4CCCC4)ncnc23
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)NC4CCCC4
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC4CCCC4
ACDLabs 11.02n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NC4CCCC4
Name:N6-cyclopentyladenosine
ChEMBL: CHEMBL68738
ZINC: ZINC000003995996
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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