BioLiP

PDB

BioLiP

PDB CCD ID:

QM7

Number of entries in BioLiP:

Chemical formula:

C22 H26 N4 O4

InChI:

InChI=1S/C22H26N4O4/c1-4-5-18(12-27)25-22(28)17-8-9-20(24-11-17)29-13-19-15(3)30-26-21(19)16-7-6-14(2)23-10-16/h6-11,18,27H,4-5,12-13H2,1-3H3,(H,25,28)/t18-/m0/s1

InChIKey:

QMARBOVOPHNZOR-SFHVURJKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CCC[C@@H](CO)NC(=O)c1ccc(nc1)OCc2c(onc2c3ccc(nc3)C)C
CACTVS 3.385	CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2c3ccc(C)nc3)nc1
OpenEye OEToolkits 3.1.0.0	CCCC(CO)NC(=O)c1ccc(nc1)OCc2c(onc2c3ccc(nc3)C)C
CACTVS 3.385	CCC[CH](CO)NC(=O)c1ccc(OCc2c(C)onc2c3ccc(C)nc3)nc1

Name:

6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide

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).