BioLiP

PDB

BioLiP

PDB CCD ID:

U4P

Number of entries in BioLiP:

Chemical formula:

C9 H12 N2 O5

InChI:

InChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6-,7-,8-/m1/s1

InChIKey:

WUBAOANSQGKRHF-XVFCMESISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O
CACTVS 3.385	C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O
CACTVS 3.385	C[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
ACDLabs 12.01	O=C1NC(=O)C=CN1C2C(C(C(O2)C)O)O
OpenEye OEToolkits 2.0.7	C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O

Name:

5'-deoxyuridine

ChEMBL:

CHEMBL3250647

ZINC:

ZINC000006490943

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).