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BioLiP

PDB CCD ID: 84H
Number of entries in BioLiP: 0
Chemical formula: C18 H17 N O2
InChI: InChI=1S/C18H17NO2/c1-21-17-12-18(20)19-16(17)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,20)/t16-/m0/s1
InChIKey: OKOKOZKDCPHCCP-INIZCTEOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COC1=CC(=O)N[C@H]1Cc2ccc(cc2)c3ccccc3
ACDLabs 12.01O=C1C=C(OC)C(Cc2ccc(cc2)c2ccccc2)N1
OpenEye OEToolkits 2.0.7COC1=CC(=O)NC1Cc2ccc(cc2)c3ccccc3
CACTVS 3.385COC1=CC(=O)N[CH]1Cc2ccc(cc2)c3ccccc3
Name:(5S)-5-[([1,1'-biphenyl]-4-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one
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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