BioLiP

PDB

BioLiP

PDB CCD ID:

55P

Number of entries in BioLiP:

Chemical formula:

C12 H17 N O2

InChI:

InChI=1S/C12H17NO2/c1-9(12(14)15)7-11(13)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H,14,15)/t9-,11-/m1/s1

InChIKey:

TVHNWAKCVXFPNB-MWLCHTKSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CC(CC(Cc1ccccc1)N)C(=O)O
CACTVS 3.385	C[CH](C[CH](N)Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.9.2	C[C@H](C[C@H](Cc1ccccc1)N)C(=O)O
ACDLabs 12.01	NC(CC(C(=O)O)C)Cc1ccccc1
CACTVS 3.385	C[C@H](C[C@@H](N)Cc1ccccc1)C(O)=O

Name:

(2R,4R)-4-amino-2-methyl-5-phenylpentanoic acid

ZINC:

ZINC000137373675

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).