BioLiP

PDB

BioLiP

PDB CCD ID:

EBT

Number of entries in BioLiP:

Chemical formula:

C16 H24 N2 O4

InChI:

InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14-/m1/s1

InChIKey:

VGGGPCQERPFHOB-HZSPNIEDSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C(NC(=O)C(O)C(N)Cc1ccccc1)CC(C)C
OpenEye OEToolkits 1.7.0	CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](Cc1ccccc1)N)O
CACTVS 3.370	CC(C)C[C@H](NC(=O)[C@H](O)[C@H](N)Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.0	CC(C)CC(C(=O)O)NC(=O)C(C(Cc1ccccc1)N)O
CACTVS 3.370	CC(C)C[CH](NC(=O)[CH](O)[CH](N)Cc1ccccc1)C(O)=O

Name:

N-[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine;
Epibestatin

ChEMBL:

CHEMBL90621

ZINC:

ZINC000002545165

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).