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BioLiP

PDB CCD ID: SPJ
Number of entries in BioLiP: 0
Chemical formula: C12 H30 N4
InChI: InChI=1S/C12H30N4/c1-11(13)5-9-15-7-3-4-8-16-10-6-12(2)14/h11-12,15-16H,3-10,13-14H2,1-2H3/t11-,12-/m1/s1
InChIKey: LXKFTCVCBKNJNM-VXGBXAGGSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04NC(CCNCCCCNCCC(N)C)C
OpenEye OEToolkits 1.5.0CC(CCNCCCCNCCC(C)N)N
CACTVS 3.341C[CH](N)CCNCCCCNCC[CH](C)N
CACTVS 3.341C[C@@H](N)CCNCCCCNCC[C@@H](C)N
OpenEye OEToolkits 1.5.0C[C@H](CCNCCCCNCC[C@@H](C)N)N
Name:(3R,3'R)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine;
bis-(3R,3'R)-methyl spermine
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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