BioLiP

PDB

BioLiP

PDB CCD ID:

TDY

Number of entries in BioLiP:

Chemical formula:

C11 H20 N3 O8 P

InChI:

InChI=1S/C11H20N3O8P/c1-11(12-2)5-14(10(17)13-9(11)16)8-3-6(15)7(22-8)4-21-23(18,19)20/h6-8,12,15H,3-5H2,1-2H3,(H,13,16,17)(H2,18,19,20)/t6-,7+,8+,11+/m0/s1

InChIKey:

GANAXGZWNNBICE-PRKAOEEVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)NC
ACDLabs 10.04	O=C1N(CC(C(=O)N1)(NC)C)C2OC(C(O)C2)COP(=O)(O)O
CACTVS 3.352	CN[C]1(C)CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
CACTVS 3.352	CN[C@]1(C)CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
OpenEye OEToolkits 1.6.1	CC1(CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O)NC

Name:

5-(METHYLAMINO)THYMIDINE 5'-(DIHYDROGEN PHOSPHATE)

ZINC:

ZINC000058649499

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).