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BioLiP

PDB CCD ID: 6HO
Number of entries in BioLiP: 1
Chemical formula: C11 H10 F N O
InChI: InChI=1S/C11H10FNO/c12-10-5-3-4-9(8-10)11(14)13-6-1-2-7-13/h1-5,8H,6-7H2
InChIKey: IGCBBGNMEVMXTB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(cc(c1)F)C(=O)N2CC=CC2
CACTVS 3.385Fc1cccc(c1)C(=O)N2CC=CC2
ACDLabs 12.01c1(cc(ccc1)C(=O)N2CC=CC2)F
Name:(2,5-dihydro-1H-pyrrol-1-yl)(3-fluorophenyl)methanone
ChEMBL: CHEMBL3818090
ZINC: ZINC000584904717
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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