BioLiP

PDB

BioLiP

PDB CCD ID:

DF8

Number of entries in BioLiP:

Chemical formula:

C10 H15 N7 O4

InChI:

InChI=1S/C10H15N7O4/c11-7-4-8(14-2-13-7)17(10(15-4)16-12)9-6(20)5(19)3(1-18)21-9/h2-3,5-6,9,18-20H,1,12H2,(H,15,16)(H2,11,13,14)/t3-,5-,6-,9-/m1/s1

InChIKey:

XMRQUQWRGIIBTK-UUOKFMHZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NNc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O
OpenEye OEToolkits 2.0.6	c1nc(c2c(n1)n(c(n2)NN)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.385	NNc1nc2c(N)ncnc2n1[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 2.0.6	c1nc(c2c(n1)n(c(n2)NN)C3C(C(C(O3)CO)O)O)N

Name:

(2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;
NEOMYCIN A;
NEAMINE

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).