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BioLiP

PDB CCD ID: MPV
Number of entries in BioLiP: 8
Chemical formula: C8 H9 N3 S
InChI: InChI=1S/C8H9N3S/c1-11-8(9)5-6(10-11)7-3-2-4-12-7/h2-5H,9H2,1H3
InChIKey: NFTITKUYTQZKIZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cn1c(cc(n1)c2cccs2)N
CACTVS 3.370Cn1nc(cc1N)c2sccc2
ACDLabs 12.01n1n(c(N)cc1c2sccc2)C
Name:1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
ChEMBL: CHEMBL1615094
ZINC: ZINC000000094695
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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