BioLiP

PDB

BioLiP

PDB CCD ID:

JCU

Number of entries in BioLiP:

Chemical formula:

C11 H13 N3

InChI:

InChI=1S/C11H13N3/c1-13-7-9-4-2-3-8-5-6-14(10(8)9)11(13)12/h2-4,12H,5-7H2,1H3/b12-11-

InChIKey:

QHQIGFVXRSNTKN-QXMHVHEDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1Cc2cccc3CCN(C1=N)c23
OpenEye OEToolkits 2.0.7	[H]/N=C\1/N(Cc2cccc3c2N1CC3)C
OpenEye OEToolkits 2.0.7	CN1Cc2cccc3c2N(C1=N)CC3

Name:

10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine

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).