BioLiP

PDB

BioLiP

PDB CCD ID:

SEM

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O3

InChI:

InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1

InChIKey:

IDGQXGPQOGUGIX-VIFPVBQESA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C(N)COCc1ccccc1
CACTVS 3.370	N[CH](COCc1ccccc1)C(O)=O
CACTVS 3.370	N[C@@H](COCc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.0	c1ccc(cc1)COC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.0	c1ccc(cc1)COCC(C(=O)O)N

Name:

O-benzyl-L-serine;
(2S)-2-azanyl-3-phenylmethoxy-propanoic acid

ZINC:

ZINC000000086010

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).