BioLiP

PDB

BioLiP

PDB CCD ID:

OJ0

Number of entries in BioLiP:

Chemical formula:

C18 H28 N2 O

InChI:

InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1

InChIKey:

LEBVLXFERQHONN-INIZCTEOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCN1CCCC[C@H]1C(=O)Nc2c(cccc2C)C
CACTVS 3.385	CCCCN1CCCC[CH]1C(=O)Nc2c(C)cccc2C
CACTVS 3.385	CCCCN1CCCC[C@H]1C(=O)Nc2c(C)cccc2C
OpenEye OEToolkits 2.0.7	CCCCN1CCCCC1C(=O)Nc2c(cccc2C)C

Name:

Levobupivacaine;
(2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)piperidine-2-carboxamide

ChEMBL:

CHEMBL1201193

DrugBank:

DB01002

ZINC:

ZINC000001530812

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).