BioLiP

PDB

BioLiP

PDB CCD ID:

A1AZL

Number of entries in BioLiP:

Chemical formula:

C21 H24 N6 O

InChI:

InChI=1S/C21H24N6O/c22-9-13-27-14-12-25-20(27)16-1-3-17(4-2-16)21(28)26-18-7-5-15(6-8-18)19-23-10-11-24-19/h1-8H,9-14,22H2,(H,23,24)(H,26,28)

InChIKey:

MIXOGBPRHWAMGZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NCCN1CCN=C1c1ccc(cc1)C(=O)Nc1ccc(cc1)C1=NCCN1
OpenEye OEToolkits 2.0.7	c1cc(ccc1C2=NCCN2CCN)C(=O)Nc3ccc(cc3)C4=NCCN4
CACTVS 3.385	NCCN1CCN=C1c2ccc(cc2)C(=O)Nc3ccc(cc3)C4=NCCN4

Name:

4-[1-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide

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).