BioLiP

PDB

BioLiP

PDB CCD ID:

36X

Number of entries in BioLiP:

Chemical formula:

C12 H16 N2

InChI:

InChI=1S/C12H16N2/c1-14-10-6-2-4-8(10)12(13)9-5-3-7-11(9)14/h13H,2-7H2,1H3

InChIKey:

YOQONBCCIYETRK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CN1C2=C(CCC2)C(=N)C3=C1CCC3
ACDLabs 12.01	[N@H]=C1C3=C(N(C2=C1CCC2)C)CCC3

Name:

4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine

ZINC:

ZINC000000484731

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).