BioLiP

PDB

BioLiP

PDB CCD ID:

ILY

Number of entries in BioLiP:

Chemical formula:

C9 H20 N2 O2

InChI:

InChI=1S/C9H20N2O2/c1-7(2)11-6-4-3-5-8(10)9(12)13/h7-8,11H,3-6,10H2,1-2H3,(H,12,13)/t8-/m0/s1

InChIKey:

CBAWNLIZBXJSFS-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC(C)NCCCC[C@H](N)C(O)=O
ACDLabs 12.01	O=C(O)C(N)CCCCNC(C)C
OpenEye OEToolkits 1.7.6	CC(C)NCCCC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.6	CC(C)NCCCCC(C(=O)O)N
CACTVS 3.370	CC(C)NCCCC[CH](N)C(O)=O

Name:

N~6~-propan-2-yl-L-lysine

ZINC:

ZINC000002392298

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).