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BioLiP Library

PDB CCD ID: 6S0
Number of entries in BioLiP: 1
Chemical formula: C15 H15 N3 S
InChI: InChI=1S/C15H15N3S/c1-10(18-13-4-3-6-16-11(13)2)12-8-15-14(17-9-12)5-7-19-15/h3-10,18H,1-2H3/t10-/m0/s1
InChIKey: BHXCHKMTMFQWLX-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](Nc1cccnc1C)c2cnc3ccsc3c2
OpenEye OEToolkits 2.0.5Cc1c(cccn1)N[C@@H](C)c2cc3c(ccs3)nc2
OpenEye OEToolkits 2.0.5Cc1c(cccn1)NC(C)c2cc3c(ccs3)nc2
CACTVS 3.385C[C@H](Nc1cccnc1C)c2cnc3ccsc3c2
Name:2-methyl-~{N}-[(1~{S})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine
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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