BioLiP

PDB

BioLiP

PDB CCD ID:

A1L67

Number of entries in BioLiP:

Chemical formula:

C11 H13 N5 O4

InChI:

InChI=1S/C11H13N5O4/c1-5-7(18)8(19)11(2-17,20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-4,7-8,17-19H,1-2H2,(H2,12,13,14)/t7-,8+,11+/m0/s1

InChIKey:

UZSSGAOAYPICBZ-VAOFZXAKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C=C1C(C(C(O1)(CO)n2cnc3c2ncnc3N)O)O
CACTVS 3.385	Nc1ncnc2n(cnc12)[C@]3(CO)OC(=C)[C@H](O)[C@H]3O
OpenEye OEToolkits 2.0.7	C=C1[C@@H]([C@H]([C@](O1)(CO)n2cnc3c2ncnc3N)O)O
CACTVS 3.385	Nc1ncnc2n(cnc12)[C]3(CO)OC(=C)[CH](O)[CH]3O

Name:

(2~{R},3~{R},4~{R})-2-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methylidene-oxolane-3,4-diol

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).