SEQ2FUN

BioLiP

PDB CCD ID: 211
Number of entries in BioLiP: 7
Chemical formula: C6 H15 N O3
InChI: InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
InChIKey: GSEJCLTVZPLZKY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CO)N(CCO)CCO
ACDLabs 10.04
CACTVS 3.341		OCCN(CCO)CCO
Name:2,2',2''-NITRILOTRIETHANOL
ChEMBL: CHEMBL446061
DrugBank: DB13747
ZINC: ZINC000000896409
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).