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BioLiP

PDB CCD ID: HO7
Number of entries in BioLiP: 1
Chemical formula: C11 H11 Br N2 S
InChI: InChI=1S/C11H11BrN2S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-4,10H,5-7H2/t10-/m1/s1
InChIKey: HTHGAIADRJRJOY-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1[C@H]2CN3CCSC3=N2)Br
CACTVS 3.385Brc1ccc(cc1)[CH]2CN3CCSC3=N2
OpenEye OEToolkits 2.0.6c1cc(ccc1C2CN3CCSC3=N2)Br
CACTVS 3.385Brc1ccc(cc1)[C@H]2CN3CCSC3=N2
ACDLabs 12.01c3c(C2CN1CCSC1=N2)ccc(c3)Br
Name:(6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
ChEMBL: CHEMBL1527442
ZINC: ZINC000000056495
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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