BioLiP

PDB

BioLiP

PDB CCD ID:

LTT

Number of entries in BioLiP:

Chemical formula:

C8 H11 N3 O4

InChI:

InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1

InChIKey:

RXRGZNYSEHTMHC-BQBZGAKWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C(OC(O1)CO)N2C=CC(=NC2=O)N
ACDLabs 10.04	O=C1N=C(N)C=CN1C2OC(OC2)CO
OpenEye OEToolkits 1.5.0	C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)N
CACTVS 3.341	NC1=NC(=O)N(C=C1)[C@@H]2CO[C@H](CO)O2
CACTVS 3.341	NC1=NC(=O)N(C=C1)[CH]2CO[CH](CO)O2

Name:

4-AMINO-1-[(2S,4S)-2-(HYDROXYMETHYL)-1,3-DIOXOLAN-4-YL]PYRIMIDIN-2(1H)-ONE;
(-)-L-2',3'-DIDEOXY-3'-OXACYTIDINE;
TROXACITABINE;
TROXATYL

ChEMBL:

CHEMBL359164

DrugBank:

DB04961

ZINC:

ZINC000001642845

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).