BioLiP

PDB

BioLiP

PDB CCD ID:

4SQ

Number of entries in BioLiP:

Chemical formula:

C8 H16 N3 O6 P

InChI:

InChI=1S/C8H16N3O6P/c9-3-7(13)11-5-18(16,17)2-1-6(12)10-4-8(14)15/h1-5,9H2,(H,10,12)(H,11,13)(H,14,15)(H,16,17)

InChIKey:

UENGEQFXYOYUEI-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(O)(CNC(CCP(CNC(CN)=O)(O)=O)=O)=O
OpenEye OEToolkits 1.9.2	C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O
CACTVS 3.385	NCC(=O)NC[P](O)(=O)CCC(=O)NCC(O)=O

Name:

tetraglycine phosphinate

ZINC:

ZINC000263621084

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).