BioLiP

PDB

BioLiP

PDB CCD ID:

LSF

Number of entries in BioLiP:

Chemical formula:

C17 H17 N3 O3

InChI:

InChI=1S/C17H17N3O3/c1-11-5-6-18-10-14(11)19-15(21)8-12-3-2-4-13(7-12)23-17-9-16(22)20-17/h2-7,10,17H,8-9H2,1H3,(H,19,21)(H,20,22)/t17-/m1/s1

InChIKey:

OWPHHWQTUZCDRN-QGZVFWFLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)Cc2cccc(c2)O[C@@H]3CC(=O)N3
CACTVS 3.385	Cc1ccncc1NC(=O)Cc2cccc(O[C@@H]3CC(=O)N3)c2
CACTVS 3.385	Cc1ccncc1NC(=O)Cc2cccc(O[CH]3CC(=O)N3)c2
ACDLabs 12.01	Cc1ccncc1NC(=O)Cc1cccc(OC2CC(=O)N2)c1
OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)Cc2cccc(c2)OC3CC(=O)N3

Name:

N-(4-methylpyridin-3-yl)-2-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)acetamide

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).