BioLiP

PDB

BioLiP

PDB CCD ID:

1OM

Number of entries in BioLiP:

Chemical formula:

C23 H26 N2 O

InChI:

InChI=1S/C23H26N2O/c1-24(2)20-11-5-17(6-12-20)23(19-9-15-22(26)16-10-19)18-7-13-21(14-8-18)25(3)4/h5-16,23,26H,1-4H3

InChIKey:

ZTXGOUSDKAXJJB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)O
ACDLabs 12.01	Oc1ccc(cc1)C(c2ccc(N(C)C)cc2)c3ccc(N(C)C)cc3
CACTVS 3.370	CN(C)c1ccc(cc1)C(c2ccc(O)cc2)c3ccc(cc3)N(C)C

Name:

4-{bis[4-(dimethylamino)phenyl]methyl}phenol

ZINC:

ZINC000004365605

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).