BioLiP

PDB

BioLiP

PDB CCD ID:

F6X

Number of entries in BioLiP:

Chemical formula:

C10 H17 N4 O7 P

InChI:

InChI=1S/C10H17N4O7P/c1-6(21-22(18,19)20)7(5-15)12-9(16)4-14-3-2-8(11)13-10(14)17/h2-3,6-7,15H,4-5H2,1H3,(H,12,16)(H2,11,13,17)(H2,18,19,20)/t6-,7-/m1/s1

InChIKey:

BNPHLZWYYOHAKE-RNFRBKRXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C(CO)NC(=O)CN1C=CC(=NC1=O)N)OP(=O)(O)O
CACTVS 3.385	C[CH](O[P](O)(O)=O)[CH](CO)NC(=O)CN1C=CC(=NC1=O)N
OpenEye OEToolkits 2.0.7	C[C@H]([C@@H](CO)NC(=O)CN1C=CC(=NC1=O)N)OP(=O)(O)O
CACTVS 3.385	C[C@@H](O[P](O)(O)=O)[C@@H](CO)NC(=O)CN1C=CC(=NC1=O)N

Name:

[(2R,3R)-3-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate

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).