SEQ2FUN

BioLiP

PDB CCD ID: 7V5
Number of entries in BioLiP: 0
Chemical formula: C20 H24 N4
InChI: InChI=1S/C20H22N4/c1-24(2)13-7-12-21-18-14-8-3-5-10-16(14)22-19-15-9-4-6-11-17(15)23-20(18)19/h3-6,8-11,23H,7,12-13H2,1-2H3,(H,21,22)/p+2
InChIKey: CTDCVGDSVHUYMA-UHFFFAOYSA-P
SMILES:
SoftwareSMILES
CACTVS 3.385C[NH+](C)CCCNc1c2[nH]c3ccccc3c2[nH+]c4ccccc14
OpenEye OEToolkits 2.0.7C[NH+](C)CCCNc1c2ccccc2[nH+]c3c1[nH]c4c3cccc4
Name:~{N}-(5~{H}-indolo[3,2-b]quinolin-11-yl)-~{N}',~{N}'-dimethyl-propane-1,3-diamine
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).