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BioLiP

PDB CCD ID: JLY
Number of entries in BioLiP: 1
Chemical formula: C14 H13 N O S
InChI: InChI=1S/C14H13NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,7,9H,6,8H2,1H3
InChIKey: BYZQPJHAZYJXRH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccc(cc1)C2=NCCc3c2ccs3
ACDLabs 12.01c23c(C(c1ccc(OC)cc1)=NCC2)ccs3
CACTVS 3.385COc1ccc(cc1)C2=NCCc3sccc23
Name:4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine
ZINC: ZINC000000107350
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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