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BioLiP

PDB CCD ID: MWB
Number of entries in BioLiP: 0
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:
SoftwareSMILES
CACTVS 3.385C1CN=C(N1)Nc2ccc(Nc3ccc(NC4=NCCN4)cc3)cc2
ACDLabs 12.01N4=C(Nc3ccc(Nc2ccc(NC1=NCCN1)cc2)cc3)NCC4
OpenEye OEToolkits 1.7.6c1cc(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, Peter L 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).

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