SEQ2FUN

BioLiP

PDB CCD ID: NTA
Number of entries in BioLiP: 9
Chemical formula: C6 H9 N O6
InChI: InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
InChIKey: MGFYIUFZLHCRTH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)N(CC(=O)O)CC(=O)O
ACDLabs 10.04O=C(O)CN(CC(=O)O)CC(=O)O
CACTVS 3.341OC(=O)CN(CC(O)=O)CC(O)=O
Name:NITRILOTRIACETIC ACID
ChEMBL: CHEMBL1234848
DrugBank: DB03040
ZINC: ZINC000001849692
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).