BioLiP

PDB

BioLiP

PDB CCD ID:

5CR

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O3

InChI:

InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1

InChIKey:

CBQJSKKFNMDLON-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.6	CC(=O)NC(Cc1ccccc1)C(=O)O
OpenEye OEToolkits 1.7.6	CC(=O)N[C@@H](Cc1ccccc1)C(=O)O
CACTVS 3.385	CC(=O)N[CH](Cc1ccccc1)C(O)=O

Name:

N-acetyl-L-phenylalanine

ChEMBL:

CHEMBL55743

ZINC:

ZINC000000135391

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).