BioLiP

PDB

BioLiP

PDB CCD ID:

SJ6

Number of entries in BioLiP:

Chemical formula:

C21 H17 N3 O2

InChI:

InChI=1S/C21H17N3O2/c1-14-4-9-18-19(11-14)26-21(24-18)16-7-5-15(6-8-16)12-23-20(25)17-3-2-10-22-13-17/h2-11,13H,12H2,1H3,(H,23,25)

InChIKey:

UNHAWZZVVULEHG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc2nc(oc2c1)c3ccc(CNC(=O)c4cccnc4)cc3
OpenEye OEToolkits 2.0.7	Cc1ccc2c(c1)oc(n2)c3ccc(cc3)CNC(=O)c4cccnc4

Name:

N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide

ZINC:

ZINC000016348661

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).