BioLiP

PDB

BioLiP

PDB CCD ID:

KWR

Number of entries in BioLiP:

Chemical formula:

C16 H15 N3 O3

InChI:

InChI=1S/C16H15N3O3/c20-14(7-11-3-2-6-17-10-11)18-12-4-1-5-13(8-12)22-16-9-15(21)19-16/h1-6,8,10,16H,7,9H2,(H,18,20)(H,19,21)/t16-/m0/s1

InChIKey:

OCMQJJQEZJQFRH-INIZCTEOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C1C[C@@H](N1)Oc2cccc(NC(=O)Cc3cccnc3)c2
CACTVS 3.385	O=C1C[CH](N1)Oc2cccc(NC(=O)Cc3cccnc3)c2
ACDLabs 12.01	O=C(Cc1cccnc1)Nc1cccc(c1)OC1CC(=O)N1
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)OC2CC(=O)N2)NC(=O)Cc3cccnc3
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)O[C@H]2CC(=O)N2)NC(=O)Cc3cccnc3

Name:

N-(3-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyridin-3-yl)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).