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BioLiP

PDB CCD ID: 8R0
Number of entries in BioLiP: 1
Chemical formula: C17 H16 N2 O2
InChI: InChI=1S/C17H16N2O2/c1-19-15(11-12-7-3-2-4-8-12)16(20)18-14-10-6-5-9-13(14)17(19)21/h2-10,15H,11H2,1H3,(H,18,20)/t15-/m1/s1
InChIKey: KSQNKZMAMGACTL-OAHLLOKOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1[CH](Cc2ccccc2)C(=O)Nc3ccccc3C1=O
OpenEye OEToolkits 2.0.6CN1[C@@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3
OpenEye OEToolkits 2.0.6CN1C(C(=O)Nc2ccccc2C1=O)Cc3ccccc3
CACTVS 3.385CN1[C@H](Cc2ccccc2)C(=O)Nc3ccccc3C1=O
Name:(3R)-4-methyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
ZINC: ZINC000013429859
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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