BioLiP

PDB

BioLiP

PDB CCD ID:

KW4

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2

InChI:

InChI=1S/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1

InChIKey:

FMUMEWVNYMUECA-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CC(C)CC[C@H](C(=O)O)N
CACTVS 3.385	CC(C)CC[C@@H](N)C(O)=O
CACTVS 3.385	CC(C)CC[CH](N)C(O)=O
ACDLabs 14.52	CC(C)CCC(N)C(=O)O
OpenEye OEToolkits 3.1.0.0	CC(C)CCC(C(=O)O)N

Name:

5-methyl-D-norleucine

ZINC:

ZINC000005453817

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).