BioLiP

PDB

BioLiP

PDB CCD ID:

AZZ

Number of entries in BioLiP:

Chemical formula:

C10 H13 N5 O4

InChI:

InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1

InChIKey:

HBOMLICNUCNMMY-XLPZGREQSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1NC(=O)N(C=C1C)C2OC(C(\N=[N+]=[N-])C2)CO
OpenEye OEToolkits 1.7.6	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
CACTVS 3.370	CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO)O2)C(=O)NC1=O
OpenEye OEToolkits 1.7.6	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]
CACTVS 3.370	CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O

Name:

3'-azido-3'-deoxythymidine;
Azidothymidine;
Zidovudine

ChEMBL:

CHEMBL129

DrugBank:

DB00495

ZINC:

ZINC000003779042

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).