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BioLiP Library

PDB CCD ID: B3P
Number of entries in BioLiP: 0
Chemical formula: C11 H26 N2 O6
InChI: InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2
InChIKey: HHKZCCWKTZRCCL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CNC(CO)(CO)CO)CNC(CO)(CO)CO
ACDLabs 10.04OCC(NCCCNC(CO)(CO)CO)(CO)CO
CACTVS 3.341OCC(CO)(CO)NCCCNC(CO)(CO)CO
Name:2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
ChEMBL: CHEMBL63859
DrugBank: DB02676
ZINC: ZINC000004521259
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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