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BioLiP

PDB CCD ID: Y5M
Number of entries in BioLiP: 2
Chemical formula: C17 H18 N4 O2
InChI: InChI=1S/C17H18N4O2/c1-10-18-13-5-3-4-12(13)17(19-10)21-9-16(22)20-14-8-11(23-2)6-7-15(14)21/h6-8H,3-5,9H2,1-2H3,(H,20,22)
InChIKey: UEPKZTFWZFQXML-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2
ACDLabs 12.01Cc1nc4c(c(n1)N3c2ccc(cc2NC(C3)=O)OC)CCC4
CACTVS 3.385COc1ccc2N(CC(=O)Nc2c1)c3nc(C)nc4CCCc34
Name:7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one
ChEMBL: CHEMBL4855608
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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