BioLiP

PDB

BioLiP

PDB CCD ID:

GL7

Number of entries in BioLiP:

Chemical formula:

C9 H14 N2 O7

InChI:

InChI=1S/C9H14N2O7/c1-11-7(16)9(10-8(11)17)6(15)5(14)4(13)3(2-12)18-9/h3-6,12-15H,2H2,1H3,(H,10,17)/t3-,4-,5+,6-,9+/m1/s1

InChIKey:

RIUIMUSXAGXXON-FMTWGGRWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O
ACDLabs 10.04	O=C2N(C(=O)NC21OC(C(O)C(O)C1O)CO)C
CACTVS 3.341	CN1C(=O)N[C]2(O[CH](CO)[CH](O)[CH](O)[CH]2O)C1=O
OpenEye OEToolkits 1.5.0	CN1C(=O)C2(C(C(C(C(O2)CO)O)O)O)NC1=O
CACTVS 3.341	CN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O

Name:

8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-3-METHYL-6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-2,4-DIONE

ChEMBL:

CHEMBL593791

DrugBank:

DB03479

ZINC:

ZINC000006437689

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).