BioLiP

PDB

BioLiP

PDB CCD ID:

DCL

Number of entries in BioLiP:

Chemical formula:

C6 H15 N O

InChI:

InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1

InChIKey:

VPSSPAXIFBTOHY-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC(C)C[CH](N)CO
CACTVS 3.370	CC(C)C[C@H](N)CO
OpenEye OEToolkits 1.7.2	CC(C)C[C@@H](CO)N
OpenEye OEToolkits 1.7.2	CC(C)CC(CO)N
ACDLabs 12.01	OCC(N)CC(C)C

Name:

2-AMINO-4-METHYL-PENTAN-1-OL;
LEUCINOL

ChEMBL:

CHEMBL1232141

ZINC:

ZINC000000391149

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).