BioLiP

PDB

BioLiP

PDB CCD ID:

GL2

Number of entries in BioLiP:

Chemical formula:

C8 H13 N3 O7

InChI:

InChI=1S/C8H13N3O7/c9-11-6(16)8(10-7(11)17)5(15)4(14)3(13)2(1-12)18-8/h2-5,12-15H,1,9H2,(H,10,17)/t2-,3-,4+,5-,8+/m1/s1

InChIKey:

KLJXQBRQPPSXPZ-WWHASAIZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)N)O)O)O)O
CACTVS 3.341	NN1C(=O)N[C]2(O[CH](CO)[CH](O)[CH](O)[CH]2O)C1=O
ACDLabs 10.04	O=C2N(C(=O)NC21OC(C(O)C(O)C1O)CO)N
CACTVS 3.341	NN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C2(O1)C(=O)N(C(=O)N2)N)O)O)O)O

Name:

(5S,7R,8S,9S,10R)-3-amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione;
3-AMINO-8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-2,4-DIONE

ChEMBL:

CHEMBL594722

DrugBank:

DB01843

ZINC:

ZINC000003833818

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).