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BioLiP

PDB CCD ID: SO7
Number of entries in BioLiP: 1
Chemical formula: C14 H18 N2 O4
InChI: InChI=1S/C14H18N2O4/c1-15(20-3)14(18)10-8-13(17)16(9-10)11-4-6-12(19-2)7-5-11/h4-7,10H,8-9H2,1-3H3/t10-/m0/s1
InChIKey: VWFLYBRQMJSRBM-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN(C(=O)C1CC(=O)N(C1)c2ccc(cc2)OC)OC
CACTVS 3.385CON(C)C(=O)[C@@H]1CN(C(=O)C1)c2ccc(OC)cc2
OpenEye OEToolkits 2.0.6CN(C(=O)[C@H]1CC(=O)N(C1)c2ccc(cc2)OC)OC
CACTVS 3.385CON(C)C(=O)[CH]1CN(C(=O)C1)c2ccc(OC)cc2
Name:(3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide
ZINC: ZINC000074122542
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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