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BioLiP

PDB CCD ID: B5H
Number of entries in BioLiP: 1
Chemical formula: C10 H7 Br N2 O2
InChI: InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5-
InChIKey: CFJZPYYYXHXWSB-YVMONPNESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(cc(c1)Br)C=C2C(=O)NC(=O)N2
CACTVS 3.385Brc1cccc(c1)C=C2NC(=O)NC2=O
OpenEye OEToolkits 1.7.6c1cc(cc(c1)Br)/C=C\2/C(=O)NC(=O)N2
CACTVS 3.385Brc1cccc(c1)\C=C2/NC(=O)NC2=O
ACDLabs 12.01O=C2NC(=C\c1cc(Br)ccc1)/C(=O)N2
Name:(5Z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione
ChEMBL: CHEMBL39848
ZINC: ZINC000016386114
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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