SEQ2FUN

BioLiP

PDB CCD ID: 9AD
Number of entries in BioLiP: 0
Chemical formula: C18 H20 N4 O
InChI: InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23)
InChIKey: YLGMVQJPGUHTRO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CN(C)CCNC(=O)c1cccc2c(N)c3ccccc3nc12
OpenEye OEToolkits 1.5.0CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2N
ACDLabs 10.04O=C(c2cccc1c(c3c(nc12)cccc3)N)NCCN(C)C
Name:9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE
ChEMBL: CHEMBL37656
ZINC: ZINC000005957862
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).