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BioLiP

PDB CCD ID: WVI
Number of entries in BioLiP: 1
Chemical formula: C8 H9 N3 S
InChI: InChI=1S/C8H9N3S/c1-5-7(8(9)11-10-5)6-3-2-4-12-6/h2-4H,1H3,(H3,9,10,11)
InChIKey: LTNSHOVGLDMJRU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1c(c([nH]n1)N)c2cccs2
ACDLabs 12.01n1nc(c(c1C)c2sccc2)N
CACTVS 3.385Cc1n[nH]c(N)c1c2sccc2
Name:3-METHYL-4-(THIOPHEN-2-YL)-1H-PYRAZOL-5-AMINE
ZINC: ZINC000008701430
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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