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BioLiP

PDB CCD ID: F37
Number of entries in BioLiP: 4
Chemical formula: C18 H14 N4 O3
InChI: InChI=1S/C18H14N4O3/c1-18(16(24)21-17(25)22-18)11-8-6-10(7-9-11)14-19-13-5-3-2-4-12(13)15(23)20-14/h2-9H,1H3,(H,19,20,23)(H2,21,22,24,25)/t18-/m0/s1
InChIKey: SBPOIJPCJCMVPV-SFHVURJKSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1c4ccccc4N=C(N1)c2ccc(cc2)C3(C(=O)NC(=O)N3)C
CACTVS 3.385C[C@]1(NC(=O)NC1=O)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3
OpenEye OEToolkits 1.9.2CC1(C(=O)NC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3
CACTVS 3.385C[C]1(NC(=O)NC1=O)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3
OpenEye OEToolkits 1.9.2C[C@@]1(C(=O)NC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3
Name:(5S)-5-methyl-5-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione
ZINC: ZINC000053845960
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).
  • 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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