BioLiP

PDB

BioLiP

PDB CCD ID:

LDC

Number of entries in BioLiP:

Chemical formula:

C9 H13 N3 O4

InChI:

InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m1/s1

InChIKey:

CKTSBUTUHBMZGZ-CHKWXVPMSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO)O2
OpenEye OEToolkits 1.5.0	C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)CO)O
OpenEye OEToolkits 1.5.0	C1C(C(OC1N2C=CC(=NC2=O)N)CO)O
CACTVS 3.341	NC1=NC(=O)N(C=C1)[C@@H]2C[C@@H](O)[C@H](CO)O2
ACDLabs 10.04	O=C1N=C(N)C=CN1C2OC(C(O)C2)CO

Name:

4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE;
L-2'-DEOXYCYTIDINE

ChEMBL:

CHEMBL554563

ZINC:

ZINC000000004253

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).