BioLiP

PDB

BioLiP

PDB CCD ID:

TRS

Number of entries in BioLiP:

Chemical formula:

C4 H12 N O3

InChI:

InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1

InChIKey:

LENZDBCJOHFCAS-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.341	[NH3+]C(CO)(CO)CO
ACDLabs 10.04	OCC([NH3+])(CO)CO
OpenEye OEToolkits 1.5.0	C(C(CO)(CO)[NH3+])O

Name:

2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL;
TRIS BUFFER

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).