BioLiP

PDB

BioLiP

PDB CCD ID:

3L1

Number of entries in BioLiP:

Chemical formula:

C10 H13 N5 O3

InChI:

InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m1/s1

InChIKey:

OLXZPDWKRNYJJZ-VQVTYTSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3CC(C(O3)CO)O)N
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)CO)O)N
ACDLabs 10.04	n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3C[C@@H](O)[C@H](CO)O3

Name:

(2S,3R,5S)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol;
L-2'-deoxyadenosine

ZINC:

ZINC000000039105

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).