BioLiP

PDB

BioLiP

PDB CCD ID:

A3U

Number of entries in BioLiP:

Chemical formula:

C11 H14 N2 O3

InChI:

InChI=1S/C11H14N2O3/c1-7(14)13-9-4-2-8(3-5-9)6-10(12)11(15)16/h2-5,10H,6,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1

InChIKey:

YAYQQGFBTYYMMH-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)Nc1ccc(C[C@H](N)C(O)=O)cc1
CACTVS 3.385	CC(=O)Nc1ccc(C[CH](N)C(O)=O)cc1
OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 12.01	O=C(C)Nc1ccc(cc1)CC(N)C(=O)O

Name:

4-acetamido-L-phenylalanine

ZINC:

ZINC000002385589

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).