BioLiP

PDB

BioLiP

PDB CCD ID:

ADY

Number of entries in BioLiP:

Chemical formula:

C10 H11 N5 O4

InChI:

InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,7,10,16,18H,1H2,(H2,11,12,13)/t4-,7-,10-/m1/s1

InChIKey:

MIAZJCOESMXYNJ-XMRAEQSQSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO)C(=O)[CH]3O
ACDLabs 10.04	O=C3C(OC(n2cnc1c(ncnc12)N)C3O)CO
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)C(=O)[C@H]3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(=O)C(O3)CO)O)N
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)[C@H](O3)CO)O)N

Name:

3'-OXO-ADENOSINE

DrugBank:

DB03273

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).