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BioLiP

PDB CCD ID: RY5
Number of entries in BioLiP: 1
Chemical formula: C15 H12 Cl N3 O3
InChI: InChI=1S/C15H12ClN3O3/c16-10-1-2-12-9(7-10)3-5-15(12)13(20)19(14(21)17-15)8-11-4-6-22-18-11/h1-2,4,6-7H,3,5,8H2,(H,17,21)/t15-/m0/s1
InChIKey: BIZQWNOTOCHPKD-HNNXBMFYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc2c(CC[C]23NC(=O)N(Cc4ccon4)C3=O)c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1Cl)CC[C@@]23C(=O)N(C(=O)N3)Cc4ccon4
CACTVS 3.385Clc1ccc2c(CC[C@]23NC(=O)N(Cc4ccon4)C3=O)c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1Cl)CCC23C(=O)N(C(=O)N3)Cc4ccon4
Name:(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-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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