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BioLiP

PDB CCD ID: ZQZ
Number of entries in BioLiP: 6
Chemical formula: C29 H26 N2 O6
InChI: InChI=1S/C29H26N2O6/c1-36-20-10-7-11-21(18-20)37-26-15-5-4-14-24(26)30-29(35)25(16-17-27(32)33)31-28(34)23-13-6-9-19-8-2-3-12-22(19)23/h2-15,18,25H,16-17H2,1H3,(H,30,35)(H,31,34)(H,32,33)/t25-/m0/s1
InChIKey: VIOMNVLHIQNNOJ-VWLOTQADSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cccc(Oc2ccccc2NC(=O)[CH](CCC(O)=O)NC(=O)c3cccc4ccccc34)c1
CACTVS 3.385COc1cccc(Oc2ccccc2NC(=O)[C@H](CCC(O)=O)NC(=O)c3cccc4ccccc34)c1
OpenEye OEToolkits 2.0.7COc1cccc(c1)Oc2ccccc2NC(=O)[C@H](CCC(=O)O)NC(=O)c3cccc4c3cccc4
ACDLabs 12.01O=C(O)CCC(NC(=O)c1cccc2ccccc21)C(=O)Nc1ccccc1Oc1cc(OC)ccc1
OpenEye OEToolkits 2.0.7COc1cccc(c1)Oc2ccccc2NC(=O)C(CCC(=O)O)NC(=O)c3cccc4c3cccc4
Name:N-[2-(3-methoxyphenoxy)phenyl]-N~2~-(naphthalene-1-carbonyl)-L-alpha-glutamine
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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