BioLiP

PDB

BioLiP

PDB CCD ID:

2JN

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2

InChI:

InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m1/s1

InChIKey:

LKZQHZQXROBVOO-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCCCC(C)(C(=O)O)N
CACTVS 3.385	CCCC[C@@](C)(N)C(O)=O
OpenEye OEToolkits 1.7.6	CCCC[C@](C)(C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)(CCCC)C
CACTVS 3.385	CCCC[C](C)(N)C(O)=O

Name:

2-methyl-D-norleucine

ZINC:

ZINC000001664675

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).