BioLiP

PDB

BioLiP

PDB CCD ID:

XFC

Number of entries in BioLiP:

Chemical formula:

C10 H13 F N3 O8 P

InChI:

InChI=1S/C10H13FN3O8P/c11-6-7(16)5(3-21-23(18,19)20)22-9(6)14-1-4(2-15)8(12)13-10(14)17/h1-2,5-7,9,16H,3H2,(H2,12,13,17)(H2,18,19,20)/t5-,6+,7-,9-/m1/s1

InChIKey:

WSKADZNTLMTFQS-JVZYCSMKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)F)N)C=O
CACTVS 3.385	NC1=NC(=O)N(C=C1C=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2F
CACTVS 3.385	NC1=NC(=O)N(C=C1C=O)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]2F
OpenEye OEToolkits 2.0.6	C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F)N)C=O
ACDLabs 12.01	P(O)(O)(=O)OCC2OC(N1C=C(C(=NC1=O)N)C=O)C(C2O)F

Name:

4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde

ZINC:

ZINC000584905759

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).