BioLiP

PDB

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C9 H13 N2 O7 P

InChI:

InChI=1S/C9H13N2O7P/c12-6-4-8(11-3-1-2-10-9(11)13)18-7(6)5-17-19(14,15)16/h1-3,6-8,12H,4-5H2,(H2,14,15,16)/t6-,7+,8+/m0/s1

InChIKey:

KOQACCDGALTLCX-XLPZGREQSA-N

SMILES:

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

Name:

1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE;
2'-DEOXYZEBULARINE-5'-MONOPHOSPHATE

ZINC:

ZINC000013546358

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).