SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C21 H20 N2 O

InChI:

InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24)

InChIKey:

GDHXZIQAOUBZCC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C(CCNC(=O)c2cccnc2)c3ccccc3
ACDLabs 10.04 CACTVS 3.341	O=C(NCCC(c1ccccc1)c2ccccc2)c3cccnc3

Name:

N-(3,3-diphenylpropyl)pyridine-3-carboxamide;
N-(3,3-Diphenyl-propyl)-nicotinamide

ChEMBL:

ZINC:

ZINC000004401896

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).