BioLiP

PDB

BioLiP

PDB CCD ID:

GI1

Number of entries in BioLiP:

Chemical formula:

C10 H17 N2 O6

InChI:

InChI=1S/C10H16N2O6/c1-18-10(17)4-2-12-5(3-13)6(14)7(15)8(16)9(12)11-4/h2,5-8,10,13-17H,3H2,1H3/p+1/t5-,6-,7+,8-,10+/m1/s1

InChIKey:

FURNYGCGTCIRPM-GBMPTNJUSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CO[C@@H](c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)O
CACTVS 3.341	CO[C@H](O)c1[nH]c2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)[n+]2c1
ACDLabs 10.04	OC(OC)c1c[n+]2c(n1)C(O)C(O)C(O)C2CO
OpenEye OEToolkits 1.5.0	COC(c1c[n+]2c([nH]1)C(C(C(C2CO)O)O)O)O
CACTVS 3.341	CO[CH](O)c1[nH]c2[CH](O)[CH](O)[CH](O)[CH](CO)[n+]2c1

Name:

METHOXYCARBONYL-SUBSTITUTED GLUCOIMIDAZOLE

ZINC:

ZINC000103543065

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).