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BioLiP

PDB CCD ID: A1LV8
Number of entries in BioLiP: 1
Chemical formula: C24 H25 N5 O
InChI: InChI=1S/C24H25N5O/c1-3-17-5-8-23-27-24(17)21(4-1)28-12-9-18(10-13-28)25-11-2-14-30-19-6-7-20-22(15-19)29(23)16-26-20/h1,3-8,15-16,18,25H,2,9-14H2
InChIKey: NUEIFXSLMFVCPQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2ccc-3nc2c(c1)N4CCC(CC4)NCCCOc5ccc6c(c5)n3cn6
CACTVS 3.385C1CNC2CCN(CC2)c3cccc4ccc(nc34)n5cnc6ccc(OC1)cc56
Name:RH140
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).
  • 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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