BioLiP

PDB

BioLiP

PDB CCD ID:

A1BC5

Number of entries in BioLiP:

Chemical formula:

C8 H16 N4 O5

InChI:

InChI=1S/C8H16N4O5/c9-4(8(16)17)1-11-6(14)2-12-7(15)5(10)3-13/h4-5,13H,1-3,9-10H2,(H,11,14)(H,12,15)(H,16,17)/t4-,5-/m0/s1

InChIKey:

AIZJRGKGNVWXDI-WHFBIAKZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	C(C(C(=O)O)N)NC(=O)CNC(=O)C(CO)N
CACTVS 3.385	N[C@@H](CNC(=O)CNC(=O)[C@@H](N)CO)C(O)=O
OpenEye OEToolkits 3.1.0.0	C([C@@H](C(=O)O)N)NC(=O)CNC(=O)[C@H](CO)N
CACTVS 3.385	N[CH](CNC(=O)CNC(=O)[CH](N)CO)C(O)=O
ACDLabs 14.52	O=C(NCC(=O)NCC(N)C(=O)O)C(N)CO

Name:

L-seryl-N-[(2S)-2-amino-2-carboxyethyl]glycinamide

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).