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BioLiP

PDB CCD ID: UGD
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)OC2CC(=O)N2)NC(=O)Cc3cncnc3
OpenEye OEToolkits 2.0.7c1cc(cc(c1)O[C@@H]2CC(=O)N2)NC(=O)Cc3cncnc3
ACDLabs 12.01n1cncc(c1)CC(Nc3cccc(OC2NC(C2)=O)c3)=O
CACTVS 3.385O=C1C[C@H](N1)Oc2cccc(NC(=O)Cc3cncnc3)c2
CACTVS 3.385O=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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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