BioLiP

PDB

BioLiP

PDB CCD ID:

5GM

Number of entries in BioLiP:

Chemical formula:

C8 H17 N O2

InChI:

InChI=1S/C8H17NO2/c1-4-6(2)5-8(3,9)7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)/t6-,8-/m0/s1

InChIKey:

YWAJMILGBXVJTJ-XPUUQOCRSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC[C@H](C)C[C@](C)(N)C(O)=O
OpenEye OEToolkits 1.7.6	CC[C@H](C)C[C@@](C)(C(=O)O)N
CACTVS 3.385	CC[CH](C)C[C](C)(N)C(O)=O
ACDLabs 12.01	NC(C(=O)O)(CC(C)CC)C
OpenEye OEToolkits 1.7.6	CCC(C)CC(C)(C(=O)O)N

Name:

(4S)-2,4-dimethyl-L-norleucine

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).