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BioLiP

PDB CCD ID: 74Z
Number of entries in BioLiP: 1
Chemical formula: C15 H15 N3 O S
InChI: InChI=1S/C15H15N3OS/c1-2-6-12-11(5-1)13-14(17-9-18-15(13)20-12)16-8-10-4-3-7-19-10/h3-4,7,9H,1-2,5-6,8H2,(H,16,17,18)
InChIKey: OZBAWCPXMIEVSW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1cc(oc1)CNc2c3c4c(sc3ncn2)CCCC4
ACDLabs 12.01c1nc(c2c(n1)sc3CCCCc23)NCc4ccco4
CACTVS 3.385C1CCc2c(C1)sc3ncnc(NCc4occc4)c23
Name:N-[(furan-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
ChEMBL: CHEMBL3915117
ZINC: ZINC000000364359
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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