BioLiP

PDB

BioLiP

PDB CCD ID:

U3K

Number of entries in BioLiP:

Chemical formula:

C14 H17 N O

InChI:

InChI=1S/C14H17NO/c1-12-8-9-14(16-12)11-15(2)10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3

InChIKey:

PLXKOSIEYNAHBU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(Cc1oc(C)cc1)Cc2ccccc2
OpenEye OEToolkits 2.0.7	Cc1ccc(o1)CN(C)Cc2ccccc2

Name:

~{N}-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine

ZINC:

ZINC000000278104

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).