BioLiP

PDB

BioLiP

PDB CCD ID:

MWB

Number of entries in BioLiP:

Chemical formula:

C18 H21 N7

InChI:

InChI=1S/C18H21N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-8,23H,9-12H2,(H2,19,20,24)(H2,21,22,25)

InChIKey:

AJWTXSLKVJNYAB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C1CN=C(N1)Nc2ccc(Nc3ccc(NC4=NCCN4)cc3)cc2
ACDLabs 12.01	N4=C(Nc3ccc(Nc2ccc(NC1=NCCN1)cc2)cc3)NCC4
OpenEye OEToolkits 1.7.6	c1cc(ccc1Nc2ccc(cc2)NC3=NCCN3)NC4=NCCN4

Name:

N1-(4,5-dihydro-1H-imidazol-2-yl)-N4-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzene-1,4-diamine;
CD27

ChEMBL:

CHEMBL242102

ZINC:

ZINC000013836783

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).