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BioLiP

PDB CCD ID: WFI
Number of entries in BioLiP: 3
Chemical formula: C10 H11 N3 S
InChI: InChI=1S/C10H11N3S/c1-7-9(6-11)14-10(13-7)8-2-4-12-5-3-8/h2-5H,6,11H2,1H3
InChIKey: HSWRYUZXDMQDGC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NCc1sc(nc1C)c1ccncc1
OpenEye OEToolkits 2.0.7Cc1c(sc(n1)c2ccncc2)CN
CACTVS 3.385Cc1nc(sc1CN)c2ccncc2
Name:1-[4-methyl-2-(pyridin-4-yl)-1,3-thiazol-5-yl]methanamine
ZINC: ZINC000012370598
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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