BioLiP

PDB

BioLiP

PDB CCD ID:

5R5

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O3

InChI:

InChI=1S/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3/t3-/m0/s1

InChIKey:

ANSUDRATXSJBLY-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC(=O)[C@@H](N)CO
ACDLabs 12.01	NC(C(=O)OC)CO
CACTVS 3.385	COC(=O)[CH](N)CO
OpenEye OEToolkits 2.0.7	COC(=O)[C@H](CO)N
OpenEye OEToolkits 2.0.7	COC(=O)C(CO)N

Name:

methyl L-serinate;
methyl (2~{S})-2-azanyl-3-oxidanyl-propanoate

ChEMBL:

CHEMBL440577

ZINC:

ZINC000019230192

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).