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BioLiP

PDB CCD ID: E9Y
Number of entries in BioLiP: 2
Chemical formula: C17 H18 N4 O2
InChI: InChI=1S/C17H18N4O2/c1-10-15-16(18-11(2)19-17(15)23-20-10)21-8-4-5-12-9-13(22-3)6-7-14(12)21/h6-7,9H,4-5,8H2,1-3H3
InChIKey: CCPOZSSQYAHSEH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cc4c(cc1OC)CCCN4c2c3c(nc(C)n2)onc3C
OpenEye OEToolkits 2.0.6Cc1c2c(nc(nc2on1)C)N3CCCc4c3ccc(c4)OC
CACTVS 3.385COc1ccc2N(CCCc2c1)c3nc(C)nc4onc(C)c34
Name:1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
ChEMBL: CHEMBL4095734
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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