BioLiP

PDB

BioLiP

PDB CCD ID:

V4L

Number of entries in BioLiP:

Chemical formula:

C14 H22 N2 O

InChI:

InChI=1S/C14H22N2O/c1-11-5-7-12(8-6-11)14(2,3)10-16(4)9-13(15)17/h5-8H,9-10H2,1-4H3,(H2,15,17)

InChIKey:

JDMIDNSLBBTABU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)C(C)(C)CN(C)CC(=O)N
ACDLabs 12.01	NC(=O)CN(C)CC(C)(C)c1ccc(C)cc1
CACTVS 3.385	CN(CC(N)=O)CC(C)(C)c1ccc(C)cc1

Name:

N~2~-methyl-N~2~-[2-methyl-2-(4-methylphenyl)propyl]glycinamide

ZINC:

ZINC000075861725

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).