BioLiP

PDB

BioLiP

PDB CCD ID:

WLU

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O3

InChI:

InChI=1S/C7H15NO3/c1-5(4-9)3-6(8-2)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1

InChIKey:

CVXBLRFZEQMDMI-RITPCOANSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C[C@H](C[C@@H](C(=O)O)NC)CO
CACTVS 3.370	CN[CH](C[CH](C)CO)C(O)=O
CACTVS 3.370	CN[C@@H](C[C@@H](C)CO)C(O)=O
ACDLabs 12.01	O=C(O)C(NC)CC(C)CO
OpenEye OEToolkits 1.7.6	CC(CC(C(=O)O)NC)CO

Name:

(4R)-5-hydroxy-N-methyl-L-leucine

ZINC:

ZINC000098209578

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).