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BioLiP

PDB CCD ID: SP8
Number of entries in BioLiP: 2
Chemical formula: C15 H25 N3 O
InChI: InChI=1S/C15H25N3O/c1-13(9-12-17-11-6-5-10-16)18-15(19)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12,16H2,1H3,(H,18,19)/t13-/m0/s1
InChIKey: UWDXTOVSVLCTLF-ZDUSSCGKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(CCNCCCCN)NC(=O)c1ccccc1
CACTVS 3.341C[CH](CCNCCCCN)NC(=O)c1ccccc1
ACDLabs 10.04O=C(NC(C)CCNCCCCN)c1ccccc1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C[C@@H](CCNCCCCN)NC(=O)c1ccccc1
Name:N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide;
S-Bz-MeSpermidine
ZINC: ZINC000024979095
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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