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BioLiP

PDB CCD ID: 7AD
Number of entries in BioLiP: 0
Chemical formula: C19 H22 N4 O
InChI: InChI=1S/C19H22N4O/c1-23(2)12-6-11-21-19(24)15-9-5-8-14-17(20)13-7-3-4-10-16(13)22-18(14)15/h3-5,7-10H,6,11-12H2,1-2H3,(H2,20,22)(H,21,24)
InChIKey: VNWAULKXOPRJEL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CN(C)CCCNC(=O)c1cccc2c(N)c3ccccc3nc12
ACDLabs 10.04O=C(c2cccc1c(c3c(nc12)cccc3)N)NCCCN(C)C
OpenEye OEToolkits 1.5.0CN(C)CCCNC(=O)c1cccc2c1nc3ccccc3c2N
Name:9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-4-CARBOXAMIDE
ChEMBL: CHEMBL287038
DrugBank: DB02842
ZINC: ZINC000005957683
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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