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BioLiP

PDB CCD ID: AZC
Number of entries in BioLiP: 1
Chemical formula: C9 H16 N2 O7
InChI: InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1
InChIKey: UQKBNLXZEGBQAF-JAJWTYFOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341CC(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C
CACTVS 3.341CC(=O)NC(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0CC(=O)NC(=O)NC1C(C(C(C(O1)CO)O)O)O
Name:N-(acetylcarbamoyl)-beta-D-glucopyranosylamine;
N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA;
N-(acetylcarbamoyl)-beta-D-glucosylamine;
N-(acetylcarbamoyl)-D-glucosylamine;
N-(acetylcarbamoyl)-glucosylamine
ChEMBL: CHEMBL443455
DrugBank: DB03218
ZINC: ZINC000005855499
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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