SEQ2FUN

BioLiP

PDB CCD ID: T3A
Number of entries in BioLiP: 8
Chemical formula: C7 H17 N O6 S
InChI: InChI=1S/C7H17NO6S/c9-4-7(5-10,6-11)8-2-1-3-15(12,13)14/h8-11H,1-6H2,(H,12,13,14)
InChIKey: YNLCVAQJIKOXER-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CNC(CO)(CO)CO)CS(=O)(=O)O
CACTVS 3.341OCC(CO)(CO)NCCC[S](O)(=O)=O
ACDLabs 10.04O=S(=O)(O)CCCNC(CO)(CO)CO
Name:N-(TRIS(HYDROXYMETHYL)METHYL)-3-AMINOPROPANESULFONIC ACID
ZINC: ZINC000001611594
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).