BioLiP

PDB

BioLiP

PDB CCD ID:

US1

Number of entries in BioLiP:

Chemical formula:

C9 H13 N2 O7 P S

InChI:

InChI=1S/C9H13N2O7PS/c12-7-1-2-11(9(13)10-7)8-3-6(20)5(18-8)4-17-19(14,15)16/h1-2,5-6,8,20H,3-4H2,(H,10,12,13)(H2,14,15,16)/t5-,6+,8-/m1/s1

InChIKey:

ITHXZXHCSXJEIA-GKROBHDKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)S
CACTVS 3.341	O[P](O)(=O)OC[CH]1O[CH](C[CH]1S)N2C=CC(=O)NC2=O
ACDLabs 10.04	O=C1NC(=O)N(C=C1)C2OC(C(S)C2)COP(=O)(O)O
OpenEye OEToolkits 1.5.0	C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)S
CACTVS 3.341	O[P](O)(=O)OC[C@H]1O[C@H](C[C@@H]1S)N2C=CC(=O)NC2=O

Name:

2'-DEOXY-3'-THIOURIDINE 5'-(DIHYDROGEN PHOSPHATE)

ZINC:

ZINC000058649559

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).