BioLiP

PDB

BioLiP

PDB CCD ID:

UZ0

Number of entries in BioLiP:

Chemical formula:

C9 H11 N5 O5

InChI:

InChI=1S/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)/t4-,6-,7-,8-/m1/s1

InChIKey:

MRUKYOQQKHNMFI-XVFCMESISA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[C@H]1O[C@H]([C@H](N=[N+]=[N-])[C@@H]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 2.0.7	C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)N=[N+]=[N-]
OpenEye OEToolkits 2.0.7	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[N-]
CACTVS 3.385	OC[CH]1O[CH]([CH](N=[N+]=[N-])[CH]1O)N2C=CC(=O)NC2=O
ACDLabs 12.01	N1(C=CC(NC1=O)=O)C2OC(C(C2N=[N+]=[N-])O)CO

Name:

2'-azido-2'-deoxyuridine

ZINC:

ZINC000006091560

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).