BioLiP

PDB

BioLiP

PDB CCD ID:

A1P

Number of entries in BioLiP:

Chemical formula:

C10 H14 N5 O5 P

InChI:

InChI=1S/C10H14N5O5P/c11-10-12-2-5-9(14-10)15(4-13-5)8-1-6(16)7(20-8)3-19-21(17)18/h2,4,6-8,16,21H,1,3H2,(H,17,18)(H2,11,12,14)/t6-,7+,8+/m0/s1

InChIKey:

XHZLYOLDUZBSPU-XLPZGREQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c2c(nc(n1)N)n(cn2)C3CC(C(O3)COP(=O)O)O
CACTVS 3.341	Nc1ncc2ncn([C@H]3C[C@H](O)[C@@H](CO[P@H](O)=O)O3)c2n1
OpenEye OEToolkits 1.5.0	c1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@H](=O)O)O
CACTVS 3.341	Nc1ncc2ncn([CH]3C[CH](O)[CH](CO[PH](O)=O)O3)c2n1
ACDLabs 10.04	O=P(O)OCC3OC(n2cnc1cnc(nc12)N)CC3O

Name:

9-{2-DEOXY-5-O-[HYDROXY(OXIDO)PHOSPHINO]-BETA-L-ERYTHRO-PENTOFURANOSYL}-9H-PURIN-2-AMINE

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).