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BioLiP

PDB CCD ID: 8NJ
Number of entries in BioLiP: 1
Chemical formula: C20 H16 N2 O2
InChI: InChI=1S/C20H16N2O2/c1-22-13-17(16-11-12-21-19(16)20(22)23)15-9-5-6-10-18(15)24-14-7-3-2-4-8-14/h2-13,21H,1H3
InChIKey: NUAFIMXCNWRSMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN1C=C(c2cc[nH]c2C1=O)c3ccccc3Oc4ccccc4
ACDLabs 12.01c1cccc(c1)Oc2ccccc2C=4c3ccnc3C(N(C=4)C)=O
CACTVS 3.385CN1C=C(c2ccccc2Oc3ccccc3)c4cc[nH]c4C1=O
Name:6-methyl-4-(2-phenoxyphenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
ChEMBL: CHEMBL3980983
ZINC: ZINC000146384606
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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