BioLiP

PDB

BioLiP

PDB CCD ID:

F7R

Number of entries in BioLiP:

Chemical formula:

C9 H15 N4 O7 P

InChI:

InChI=1S/C9H15N4O7P/c10-7-1-2-13(9(16)12-7)3-8(15)11-6(4-14)5-20-21(17,18)19/h1-2,6,14H,3-5H2,(H,11,15)(H2,10,12,16)(H2,17,18,19)/t6-/m1/s1

InChIKey:

WZINKHQUEQYIEP-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1=CN(C(=O)N=C1N)CC(=O)N[C@H](CO)COP(=O)(O)O
CACTVS 3.385	NC1=NC(=O)N(CC(=O)N[C@H](CO)CO[P](O)(O)=O)C=C1
OpenEye OEToolkits 2.0.7	C1=CN(C(=O)N=C1N)CC(=O)NC(CO)COP(=O)(O)O
CACTVS 3.385	NC1=NC(=O)N(CC(=O)N[CH](CO)CO[P](O)(O)=O)C=C1

Name:

[(2R)-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] 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).