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BioLiP

PDB CCD ID: OTG
Number of entries in BioLiP: 1
Chemical formula: C14 H19 N O6
InChI: InChI=1S/C14H19NO6/c1-7-4-2-3-5-8(7)13(19)15-10-12(18)11(17)9(6-16)21-14(10)20/h2-5,9-12,14,16-18,20H,6H2,1H3,(H,15,19)/t9-,10-,11-,12-,14+/m1/s1
InChIKey: ZWRASUMSHKKCJN-SKENRDBWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccccc1C(=O)NC2C(C(C(OC2O)CO)O)O
CACTVS 3.341Cc1ccccc1C(=O)N[CH]2[CH](O)O[CH](CO)[CH](O)[CH]2O
ACDLabs 10.04O=C(NC1C(O)C(O)C(OC1O)CO)c2ccccc2C
CACTVS 3.341Cc1ccccc1C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O
OpenEye OEToolkits 1.5.0Cc1ccccc1C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O
Name:2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucopyranose;
ORTHO-TOLUOYLGLUCOSAMINE;
N-[(2-methylphenyl)carbonyl]-alpha-D-glucosamine;
2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucose;
2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-D-glucose;
2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-glucose
ZINC: ZINC000006523237
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).
  • 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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