BioLiP

PDB

BioLiP

PDB CCD ID:

LG5

Number of entries in BioLiP:

Chemical formula:

C6 H10 N2

InChI:

InChI=1S/C6H10N2/c1-8-4-2-3-6(7)5-8/h2-3,5H,4,7H2,1H3

InChIKey:

NJIDBKRVRJXCLL-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	NC=1C=CCN(C=1)C
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CN1CC=CC(=C1)N

Name:

1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE;
1-METHYL-1-LAMBDA-5-PYRIDIN-3-YL-AMINE

ZINC:

ZINC000103548388

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).