BioLiP

PDB

BioLiP

PDB CCD ID:

F7X

Number of entries in BioLiP:

Chemical formula:

C10 H15 N6 O7 P

InChI:

InChI=1S/C10H15N6O7P/c11-10-14-8-7(9(19)15-10)12-4-16(8)1-6(18)13-5(2-17)3-23-24(20,21)22/h4-5,17H,1-3H2,(H,13,18)(H2,20,21,22)(H3,11,14,15,19)/t5-/m1/s1

InChIKey:

UGPARWCAUBOAFC-RXMQYKEDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1nc2c(n1CC(=O)NC(CO)COP(=O)(O)O)N=C(NC2=O)N
CACTVS 3.385	NC1=Nc2n(CC(=O)N[C@H](CO)CO[P](O)(O)=O)cnc2C(=O)N1
OpenEye OEToolkits 2.0.7	c1nc2c(n1CC(=O)N[C@H](CO)COP(=O)(O)O)N=C(NC2=O)N
CACTVS 3.385	NC1=Nc2n(CC(=O)N[CH](CO)CO[P](O)(O)=O)cnc2C(=O)N1

Name:

[(2R)-2-[2-(2-azanyl-6-oxidanylidene-1H-purin-9-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).