BioLiP

PDB

BioLiP

PDB CCD ID:

RDM

Number of entries in BioLiP:

Chemical formula:

C12 H15 N O3

InChI:

InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m1/s1

InChIKey:

CNQZAOFOKXXEOB-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(=O)NC(CCc1ccccc1)C(=O)O
CACTVS 3.385	CC(=O)N[C@H](CCc1ccccc1)C(O)=O
CACTVS 3.385	CC(=O)N[CH](CCc1ccccc1)C(O)=O
ACDLabs 12.01	C(c1ccccc1)CC(C(=O)O)NC(=O)C
OpenEye OEToolkits 2.0.6	CC(=O)N[C@H](CCc1ccccc1)C(=O)O

Name:

(2R)-2-(acetylamino)-4-phenylbutanoic acid

ZINC:

ZINC000000135380

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).