BioLiP

PDB

BioLiP

PDB CCD ID:

UGD

Number of entries in BioLiP:

Chemical formula:

C15 H14 N4 O3

InChI:

InChI=1S/C15H14N4O3/c20-13(4-10-7-16-9-17-8-10)18-11-2-1-3-12(5-11)22-15-6-14(21)19-15/h1-3,5,7-9,15H,4,6H2,(H,18,20)(H,19,21)/t15-/m1/s1

InChIKey:

SGVQMOZIVBYLOT-OAHLLOKOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)OC2CC(=O)N2)NC(=O)Cc3cncnc3
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)O[C@@H]2CC(=O)N2)NC(=O)Cc3cncnc3
ACDLabs 12.01	n1cncc(c1)CC(Nc3cccc(OC2NC(C2)=O)c3)=O
CACTVS 3.385	O=C1C[C@H](N1)Oc2cccc(NC(=O)Cc3cncnc3)c2
CACTVS 3.385	O=C1C[CH](N1)Oc2cccc(NC(=O)Cc3cncnc3)c2

Name:

N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-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).