BioLiP

PDB

BioLiP

PDB CCD ID:

GLX

Number of entries in BioLiP:

Chemical formula:

C5 H8 N O2 X2

InChI:

InChIKey:

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	=C()CCC(C(=O)O)N
OpenEye OEToolkits 1.7.2	=C()CC[C@@H](C(=O)O)N
CACTVS 3.370	C(CC[C@H](N)C(O)=O)(=[F,Cl,Br,I])[F,Cl,Br,I]
CACTVS 3.370	C(CC[CH](N)C(O)=O)(=[F,Cl,Br,I])[F,Cl,Br,I]

Name:

GLU/GLN AMBIGUOUS

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).