BioLiP

PDB

BioLiP

PDB CCD ID:

AMJ

Number of entries in BioLiP:

Chemical formula:

C13 H18 N2 O3

InChI:

InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m0/s1

InChIKey:

VPPJLAIAVCUEMN-LBPRGKRZSA-N

SMILES:

Software	SMILES
ACDLabs 11.02	O=C(NC(C(=O)NCc1ccccc1)COC)C
OpenEye OEToolkits 1.7.0	CC(=O)NC(COC)C(=O)NCc1ccccc1
CACTVS 3.352	COC[C@H](NC(C)=O)C(=O)NCc1ccccc1
CACTVS 3.352	COC[CH](NC(C)=O)C(=O)NCc1ccccc1
OpenEye OEToolkits 1.7.0	CC(=O)N[C@@H](COC)C(=O)NCc1ccccc1

Name:

N~2~-acetyl-N-benzyl-O-methyl-L-serinamide

ChEMBL:

CHEMBL58322

ZINC:

ZINC000029562604

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).