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BioLiP

PDB CCD ID: F11
Number of entries in BioLiP: 1
Chemical formula: C31 H36 N4
InChI: InChI=1S/C31H36N4/c1(10-20-32-30-22-12-2-6-16-26(22)34-27-17-7-3-13-23(27)30)11-21-33-31-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)31/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2,(H,32,34)(H,33,35)
InChIKey: NECDJQNRWSICKG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C(CCNc1c2CCCCc2nc3ccccc13)CCNc4c5CCCCc5nc6ccccc46
ACDLabs 10.04n2c1c(cccc1)c(c3c2CCCC3)NCCCCCNc4c6c(nc5c4CCCC5)cccc6
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCNc4c5ccccc5nc6c4CCCC6
Name:N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE
ChEMBL: CHEMBL179732
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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