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BioLiP

PDB CCD ID: Q1H
Number of entries in BioLiP: 1
Chemical formula: C13 H10 F3 N3 O
InChI: InChI=1S/C13H10F3N3O/c14-13(15,16)8-3-4-11-10(6-8)18-12(17)19(11)7-9-2-1-5-20-9/h1-6H,7H2,(H2,17,18)
InChIKey: QYVPLFHAOLRMBY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(oc1)Cn2c3ccc(cc3nc2N)C(F)(F)F
CACTVS 3.385Nc1nc2cc(ccc2n1Cc3occc3)C(F)(F)F
Name:1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine
ZINC: ZINC000008013612
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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