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BioLiP

PDB CCD ID: GTZ
Number of entries in BioLiP: 8
Chemical formula: C6 H10 N4 O4
InChI: InChI=1S/C6H10N4O4/c11-1-2-3(12)4(13)5(14)6-7-8-9-10(2)6/h2-5,11-14H,1H2/t2-,3+,4+,5-/m1/s1
InChIKey: UCJXQRFJERKPOZ-MGCNEYSASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C([C@@H]1[C@@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O
ACDLabs 12.01n1nnn2c1C(O)C(O)C(O)C2CO
OpenEye OEToolkits 1.7.6C(C1C(C(C(c2n1nnn2)O)O)O)O
CACTVS 3.370OC[CH]1[CH](O)[CH](O)[CH](O)c2nnnn12
CACTVS 3.370OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)c2nnnn12
Name:(5R, 6S, 7S, 8S)-5-HYDROXYMETHYL-6,7,8-TRIHYDROXY-TETRAZOLO[1,5-A]PIPERIDINE
DrugBank: DB02294
ZINC: ZINC000033821340
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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