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BioLiP

PDB CCD ID: LW0
Number of entries in BioLiP: 3
Chemical formula: C17 H14 F N5 O
InChI: InChI=1S/C17H14FN5O/c18-11-5-3-4-10(8-11)17(24)19-15-9-14(16-20-22-23-21-16)12-6-1-2-7-13(12)15/h1-8,14-15H,9H2,(H,19,24)(H,20,21,22,23)/t14-,15+/m0/s1
InChIKey: AVOXPOBGAAXINB-LSDHHAIUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1cccc(c1)C(=O)N[C@@H]2C[C@H](c3[nH]nnn3)c4ccccc24
OpenEye OEToolkits 2.0.7c1ccc2c(c1)[C@H](C[C@H]2NC(=O)c3cccc(c3)F)c4[nH]nnn4
ACDLabs 12.01Fc1cccc(c1)C(=O)NC1CC(c2nnn[NH]2)c2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(CC2NC(=O)c3cccc(c3)F)c4[nH]nnn4
CACTVS 3.385Fc1cccc(c1)C(=O)N[CH]2C[CH](c3[nH]nnn3)c4ccccc24
Name:3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide
ZINC: ZINC000621430161
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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