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BioLiP Library

PDB CCD ID: AU4
Number of entries in BioLiP: 1
Chemical formula: C17 H23 N3
InChI: InChI=1S/C17H23N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,17H,18H2,1-4H3
InChIKey: SGTJPINAQYDQHG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)N
CACTVS 3.341CN(C)c1ccc(cc1)C(N)c2ccc(cc2)N(C)C
ACDLabs 10.04N(c1ccc(cc1)C(c2ccc(N(C)C)cc2)N)(C)C
Name:4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)
ZINC: ZINC000011737272
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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