SEQ2FUN

BioLiP

PDB CCD ID: BTB
Number of entries in BioLiP: 2
Chemical formula: C8 H19 N O5
InChI: InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
InChIKey: OWMVSZAMULFTJU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CO)N(CCO)C(CO)(CO)CO
ACDLabs 10.04OCCN(C(CO)(CO)CO)CCO
CACTVS 3.341OCCN(CCO)C(CO)(CO)CO
Name:2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL;
BIS-TRIS BUFFER
ZINC: ZINC000001615342

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).