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BioLiP

PDB CCD ID: 04R
Number of entries in BioLiP: 1
Chemical formula: C10 H11 F3 N2 O2
InChI: InChI=1S/C10H11F3N2O2/c11-10(12,13)9-6-3-1-2-4-7(6)15(14-9)5-8(16)17/h1-5H2,(H,16,17)
InChIKey: NOFFCWXIBYKMBU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1CCc2c(c(nn2CC(=O)O)C(F)(F)F)C1
ACDLabs 12.01FC(F)(F)c1nn(c2c1CCCC2)CC(=O)O
CACTVS 3.370OC(=O)Cn1nc(c2CCCCc12)C(F)(F)F
Name:[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid
ChEMBL: CHEMBL1604654
ZINC: ZINC000004976927
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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