SEQ2FUN

BioLiP

PDB CCD ID: OWL
Number of entries in BioLiP: 0
Chemical formula: C18 H17 N7
InChI: InChI=1S/C18H17N7/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/h1-12,23H,(H2,19,20,24)(H2,21,22,25)
InChIKey: JHMXUERQMCJRHG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1ccnc1Nc4ccc(Nc3ccc(Nc2nccn2)cc3)cc4
OpenEye OEToolkits 1.7.6c1cc(ccc1Nc2ccc(cc2)Nc3[nH]ccn3)Nc4[nH]ccn4
CACTVS 3.385[nH]1ccnc1Nc2ccc(Nc3ccc(Nc4[nH]ccn4)cc3)cc2
Name:N-1H-imidazol-2-yl-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
ChEMBL: CHEMBL74371
DrugBank: DB08331
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).