SEQ2FUN

BioLiP

PDB CCD ID: BMO
Number of entries in BioLiP: 0
Chemical formula: C32 H31 N5
InChI: InChI=1S/C32H31N5/c1-5-15-27-23(11-1)31(24-12-2-6-16-28(24)36-27)34-21-9-19-33-20-10-22-35-32-25-13-3-7-17-29(25)37-30-18-8-4-14-26(30)32/h1-8,11-18,33H,9-10,19-22H2,(H,34,36)(H,35,37)
InChIKey: WGBHBVVVCBOHMA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C(CNCCCNc1c2ccccc2nc3ccccc13)CNc4c5ccccc5nc6ccccc46
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c3ccccc3n2)NCCCNCCCNc4c5ccccc5nc6c4cccc6
ACDLabs 10.04n2c1c(cccc1)c(c3c2cccc3)NCCCNCCCNc4c6c(nc5c4cccc5)cccc6
Name:N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE;
1,3-PROPANEDIAMINE;
N-9-ACRIDINYL-N -[3-(9-ACRIDINYLAMINO)PROPYL]
ChEMBL: CHEMBL290527
ZINC: ZINC000005432478
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).