SEQ2FUN

BioLiP

PDB CCD ID: XIM
Number of entries in BioLiP: 1
Chemical formula: C7 H10 N2 O3
InChI: InChI=1S/C7H10N2O3/c10-4-3-9-2-1-8-7(9)6(12)5(4)11/h1-2,4-6,10-12H,3H2/t4-,5+,6-/m1/s1
InChIKey: QMHSBFMMOLGPGR-NGJCXOISSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cn2c(n1)[C@@H]([C@H]([C@@H](C2)O)O)O
ACDLabs 12.01n1ccn2c1C(O)C(O)C(O)C2
CACTVS 3.370O[CH]1Cn2ccnc2[CH](O)[CH]1O
CACTVS 3.370O[C@@H]1Cn2ccnc2[C@H](O)[C@H]1O
OpenEye OEToolkits 1.7.6c1cn2c(n1)C(C(C(C2)O)O)O
Name:5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL;
XYLOSE-DERIVED IMIDAZOLE
DrugBank: DB02374
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).