BioLiP

PDB

BioLiP

PDB CCD ID:

2AD

Number of entries in BioLiP:

Chemical formula:

C10 H14 N6 O3

InChI:

InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1

InChIKey:

CQKMBZHLOYVGHW-QYYRPYCUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)N)N
ACDLabs 10.04	n2c1c(ncnc1n(c2)C3OC(C(O)C3N)CO)N
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)N)N
CACTVS 3.341	N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23
CACTVS 3.341	N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n2cnc3c(N)ncnc23

Name:

2'-AMINO-2'-DEOXYADENOSINE

ChEMBL:

CHEMBL133809

DrugBank:

DB04102

ZINC:

ZINC000053204366

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).