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BioLiP

PDB CCD ID: L9F
Number of entries in BioLiP: 1
Chemical formula: C14 H10 Cl N3 O2
InChI: InChI=1S/C14H10ClN3O2/c15-10-4-1-5-11(7-10)18-13(19)12(17-14(18)20)9-3-2-6-16-8-9/h1-8,12H,(H,17,20)/t12-/m1/s1
InChIKey: GSEMEGPVJJVGNC-GFCCVEGCSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1cccc(c1)N2C(=O)N[CH](c3cccnc3)C2=O
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Cl)N2C(=O)[C@H](NC2=O)c3cccnc3
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Cl)N2C(=O)C(NC2=O)c3cccnc3
CACTVS 3.385Clc1cccc(c1)N2C(=O)N[C@H](c3cccnc3)C2=O
ACDLabs 12.01Clc1cccc(c1)N1C(=O)C(NC1=O)c1cccnc1
Name:(3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione
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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