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BioLiP

PDB CCD ID: 6ZM
Number of entries in BioLiP: 2
Chemical formula: C18 H20 N4 O
InChI: InChI=1S/C18H20N4O/c1-12(23)22-7-6-17-15(11-22)10-19-18(21-17)20-16-8-13-4-2-3-5-14(13)9-16/h2-5,10,16H,6-9,11H2,1H3,(H,19,20,21)
InChIKey: YZUQRESBRMOGBQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1
OpenEye OEToolkits 2.0.5CC(=O)N1CCc2c(cnc(n2)NC3Cc4ccccc4C3)C1
ACDLabs 12.01C1N(C(=O)C)CCc4c1cnc(NC2Cc3c(C2)cccc3)n4
Name:1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one
ChEMBL: CHEMBL4588676
ZINC: ZINC000584905268
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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