SEQ2FUN

BioLiP

PDB CCD ID: DA5
Number of entries in BioLiP: 0
Chemical formula: C18 H21 Br N4 O
InChI: InChI=1S/C18H19BrN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)/p+2
InChIKey: NROQPXQSDDINMC-UHFFFAOYSA-P
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)CCNC(=O)c1cccc2c1[nH+]c3c(c2[NH3+])cccc3Br
CACTVS 3.341CN(C)CCNC(=O)c1cccc2c([NH3+])c3cccc(Br)c3[nH+]c12
ACDLabs 10.04O=C(NCCN(C)C)c1c3c(ccc1)c(c2cccc(Br)c2[nH+]3)[NH3+]
Name:5-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-4-CARBOXAMIDE;
5BR20686
DrugBank: DB02390
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).