BioLiP

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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 ●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

PDB

BioLiP

PDB CCD ID:

Z4S

Number of entries in BioLiP:

Chemical formula:

C8 H13 N O5

InChI:

InChI=1S/C8H13NO5/c1-3(10)9-5-7(12)6(11)4-2-13-8(5)14-4/h4-8,11-12H,2H2,1H3,(H,9,10)/t4-,5-,6-,7-,8-/m1/s1

InChIKey:

PJFUEEUSPVNDFW-FMDGEEDCSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(NC2C(O)C(O)C1OC2OC1)C
CACTVS 3.370	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@H]2CO[C@@H]1O2
OpenEye OEToolkits 1.7.6	CC(=O)NC1C(C(C2COC1O2)O)O
OpenEye OEToolkits 1.7.6	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O)O
CACTVS 3.370	CC(=O)N[CH]1[CH](O)[CH](O)[CH]2CO[CH]1O2

Name:

1,6-anhydro-N-acetyl-beta-D-glucopyranosamine;
N-[(1R,2S,3R,4R,5R)-2,3-bis(oxidanyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide;
1,6-anhydro-N-acetyl-beta-D-glucosamine;
1,6-anhydro-N-acetyl-D-glucosamine;
1,6-anhydro-N-acetyl-glucosamine

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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