BioLiP

PDB

BioLiP

PDB CCD ID:

NRN

Number of entries in BioLiP:

Chemical formula:

C10 H13 N5 O3

InChI:

InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1

InChIKey:

VFKHECGAEJNAMV-HETMPLHPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)O)N
CACTVS 3.385	Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](O)[CH]3O
CACTVS 3.385	Nc1ncnc2n(cnc12)[C@@H]3C[C@H](O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.9.2	c1nc(c2c(n1)n(cn2)C3CC(C(C3O)O)O)N

Name:

(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol;
noraristeromycin

ChEMBL:

CHEMBL129014

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).