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BioLiP

PDB CCD ID: B2Z
Number of entries in BioLiP: 4
Chemical formula: C19 H20 F N3 O2
InChI: InChI=1S/C19H20FN3O2/c1-11(14-5-3-4-6-15(14)20)9-18(24)21-12(2)13-7-8-16-17(10-13)23-19(25)22-16/h3-8,10-12H,9H2,1-2H3,(H,21,24)(H2,22,23,25)/t11-,12+/m0/s1
InChIKey: QMZGJDIRPYTWRL-NWDGAFQWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[C@@H](CC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)N2)c3ccccc3F
CACTVS 3.385C[CH](CC(=O)N[CH](C)c1ccc2NC(=O)Nc2c1)c3ccccc3F
OpenEye OEToolkits 1.7.6CC(CC(=O)NC(C)c1ccc2c(c1)NC(=O)N2)c3ccccc3F
CACTVS 3.385C[C@@H](CC(=O)N[C@H](C)c1ccc2NC(=O)Nc2c1)c3ccccc3F
Name:(3-(2-FLUOROPHENYL)-N-(1-(2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-5-YL)ETHYL)BUTANAMIDE)
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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