SEQ2FUN

BioLiP

PDB CCD ID: 8T7
Number of entries in BioLiP: 2
Chemical formula: C11 H10 F3 N3
InChI: InChI=1S/C11H10F3N3/c1-17-10(15)8(7-5-3-2-4-6-7)9(16-17)11(12,13)14/h2-6H,15H2,1H3
InChIKey: KCCKFLAAEZFOPE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1nc(c(c1N)c2ccccc2)C(F)(F)F
ACDLabs 12.01n2(C)nc(C(F)(F)F)c(c1ccccc1)c2N
OpenEye OEToolkits 2.0.6Cn1c(c(c(n1)C(F)(F)F)c2ccccc2)N
Name:1-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
ChEMBL: CHEMBL1401176
ZINC: ZINC000000110577
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).