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

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BioLiP Library

PDB

BioLiP

PDB CCD ID:

8B9

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O5

InChI:

InChI=1S/C8H15NO5/c1-4(11)9-7-6(12)2-5(3-10)14-8(7)13/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6-,7+,8-/m0/s1

InChIKey:

LLRSBEXKLNOWPS-HSNKUXOKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)N[CH]1[CH](O)C[CH](CO)O[CH]1O
CACTVS 3.385	CC(=O)N[C@@H]1[C@@H](O)C[C@@H](CO)O[C@@H]1O
OpenEye OEToolkits 2.0.6	CC(=O)NC1C(CC(OC1O)CO)O
OpenEye OEToolkits 2.0.6	CC(=O)N[C@@H]1[C@H](C[C@H](O[C@@H]1O)CO)O

Name:

2-acetamido-2,4-dideoxy-alpha-D-xylo-hexopyranose;
N-[(2S,3R,4S,6S)-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]ethanamide;
2-acetamido-2,4-dideoxy-alpha-D-xylo-hexose;
2-acetamido-2,4-dideoxy-D-xylo-hexose;
2-acetamido-2,4-dideoxy-xylo-hexose

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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