BioLiP

PDB

BioLiP

PDB CCD ID:

CTD

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O5

InChI:

InChI=1S/C10H14N2O5/c11-5-1-2-12(7(14)3-5)10-9(16)8(15)6(4-13)17-10/h1-3,6,8-10,13,15-16H,4,11H2/t6-,8-,9-,10-/m1/s1

InChIKey:

OGADSZTVCUXSOK-PEBGCTIMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)C=C1N)C2C(C(C(O2)CO)O)O
CACTVS 3.341	NC1=CC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)C=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
CACTVS 3.341	NC1=CC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O
ACDLabs 10.04	O=C1C=C(N)C=CN1C2OC(C(O)C2O)CO

Name:

3-DEAZACYTIDINE

ChEMBL:

CHEMBL1231969

DrugBank:

DB04385

ZINC:

ZINC000006091564

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).