SEQ2FUN

BioLiP

PDB CCD ID: BZD
Number of entries in BioLiP: 6
Chemical formula: C14 H18 N2 O7
InChI: InChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)13(23-8)16-14(22)15-12(21)7-4-2-1-3-5-7/h1-5,8-11,13,17-20H,6H2,(H2,15,16,21,22)/t8-,9-,10+,11-,13-/m1/s1
InChIKey: JSBCZGSPFATCOV-BZNQNGANSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[CH]1O[CH](NC(=O)NC(=O)c2ccccc2)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O
Name:N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine;
N-BENZOYL-N'-BETA-D-GLUCOPYRANOSYL UREA;
N-[(phenylcarbonyl)carbamoyl]-beta-D-glucosylamine;
N-[(phenylcarbonyl)carbamoyl]-D-glucosylamine;
N-[(phenylcarbonyl)carbamoyl]-glucosylamine
ChEMBL: CHEMBL489799
DrugBank: DB04295
ZINC: ZINC000006578607
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).