BioLiP

PDB

BioLiP

PDB CCD ID:

284

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2

InChI:

InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h4-5,8H,2-3,7H2,1H3/t5-/m0/s1

InChIKey:

XSGKRRZSNPERQU-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.341	C[CH]1CCNC(=C1)N
CACTVS 3.341 OpenEye OEToolkits 1.5.0	C[C@H]1CCNC(=C1)N
ACDLabs 10.04	NC1=CC(C)CCN1
OpenEye OEToolkits 1.5.0	CC1CCNC(=C1)N

Name:

(4S)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine

ZINC:

ZINC000103523007

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).