BioLiP

PDB

BioLiP

PDB CCD ID:

A1L4D

Number of entries in BioLiP:

Chemical formula:

C16 H15 N O3

InChI:

InChI=1S/C16H15NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)(H,19,20)/t14-/m0/s1

InChIKey:

NPKISZUVEBESJI-AWEZNQCLSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CC(C(=O)O)NC(=O)c2ccccc2
CACTVS 3.385	OC(=O)[CH](Cc1ccccc1)NC(=O)c2ccccc2

Name:

(2~{S})-2-benzamido-3-phenyl-propanoic acid

ChEMBL:

CHEMBL22685

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).