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BioLiP Library

PDB CCD ID: W5Z
Number of entries in BioLiP: 3
Chemical formula: C12 H12 F N3 O
InChI: InChI=1S/C12H12FN3O/c13-11-3-1-2-10(8-11)12(17)15-5-7-16-6-4-14-9-16/h1-4,6,8-9H,5,7H2,(H,15,17)
InChIKey: JDPNLLCNTLNJHF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1cccc(c1)C(=O)NCCn2ccnc2
OpenEye OEToolkits 2.0.7c1cc(cc(c1)F)C(=O)NCCn2ccnc2
ACDLabs 12.01Fc1cccc(c1)C(=O)NCCn1ccnc1
Name:3-fluoro-N-[2-(1H-imidazol-1-yl)ethyl]benzamide
ChEMBL: CHEMBL3494125
ZINC: ZINC000041816232
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)(download the PDF file).
  • 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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