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BioLiP

PDB CCD ID: GK9
Number of entries in BioLiP: 2
Chemical formula: C16 H14 Cl N3 O2
InChI: InChI=1S/C16H14ClN3O2/c1-21-11-4-5-13-10(9-11)3-2-7-20(13)15-14-12(6-8-22-14)18-16(17)19-15/h4-6,8-9H,2-3,7H2,1H3
InChIKey: OHDPJCAMZXLYKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(Cl)nc4c(c(n1)N3CCCc2cc(ccc23)OC)occ4
OpenEye OEToolkits 2.0.6COc1ccc2c(c1)CCCN2c3c4c(cco4)nc(n3)Cl
CACTVS 3.385COc1ccc2N(CCCc2c1)c3nc(Cl)nc4ccoc34
Name:1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
ChEMBL: CHEMBL4095025
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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