BioLiP Library

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●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP Library

PDB

BioLiP

PDB CCD ID:

6GP

Number of entries in BioLiP:

Chemical formula:

C9 H15 N O8

InChI:

InChI=1S/C9H15NO8/c1-17-9(16)7(15)10-8-6(14)5(13)4(12)3(2-11)18-8/h3-6,8,11-14H,2H2,1H3,(H,10,15)/t3-,4-,5+,6-,8-/m1/s1

InChIKey:

OHCAXSUQOPLGLU-QOHYDMMQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	COC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341	COC(=O)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0	COC(=O)C(=O)NC1C(C(C(C(O1)CO)O)O)O
ACDLabs 10.04	O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)OC
CACTVS 3.341	COC(=O)C(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O

Name:

N-[methoxy(oxo)acetyl]-beta-D-glucopyranosylamine;
METHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATE;
N-[methoxy(oxo)acetyl]-beta-D-glucosylamine;
N-[methoxy(oxo)acetyl]-D-glucosylamine;
N-[methoxy(oxo)acetyl]-glucosylamine

ChEMBL:

CHEMBL1230492

ZINC:

ZINC000016052003

Reference:

Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
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).

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