BioLiP

PDB

BioLiP

PDB CCD ID:

LNT

Number of entries in BioLiP:

Chemical formula:

C10 H22 N2 O5

InChI:

InChI=1S/C10H22N2O5/c1-5(2)4-7(11)10(16,17)12-8(6(3)13)9(14)15/h5-8,12-13,16-17H,4,11H2,1-3H3,(H,14,15)/t6-,7+,8+/m1/s1

InChIKey:

JUVAHRIWFDXYGV-CSMHCCOUSA-N

SMILES:

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

Name:

N-[(2S)-2-amino-1,1-dihydroxy-4-methylpentyl]-L-threonine

ZINC:

ZINC000058649584

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).