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BioLiP

PDB CCD ID: WLF
Number of entries in BioLiP: 1
Chemical formula: C14 H14 Cl F3 N2 O3
InChI: InChI=1S/C14H14ClF3N2O3/c15-8-3-4-10(9(7-8)14(16,17)18)19-12(23)20-13(11(21)22)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,21,22)(H2,19,20,23)
InChIKey: ODLNGMALGLLBFG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1Cl)C(F)(F)F)NC(=O)NC2(CCCC2)C(=O)O
CACTVS 3.385OC(=O)C1(CCCC1)NC(=O)Nc2ccc(Cl)cc2C(F)(F)F
ACDLabs 12.01O=C(NC1(CCCC1)C(=O)O)Nc1ccc(Cl)cc1C(F)(F)F
Name:1-{[4-chloro-2-(trifluoromethyl)phenyl]carbamamido}cyclopentane-1-carboxylic acid
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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