BioLiP

PDB

BioLiP

PDB CCD ID:

AU4

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)N
CACTVS 3.341	CN(C)c1ccc(cc1)C(N)c2ccc(cc2)N(C)C
ACDLabs 10.04	N(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, Lydia 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).