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BioLiP

PDB CCD ID: ZZW
Number of entries in BioLiP: 1
Chemical formula: C19 H14 F N3 O2
InChI: InChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24)
InChIKey: ADHFMENDOUEJRK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c3cc(ncc3n2Cc4ccc(cc4)F)C(=O)NO
CACTVS 3.370ONC(=O)c1cc2c(cn1)n(Cc3ccc(F)cc3)c4ccccc24
ACDLabs 12.01Fc1ccc(cc1)Cn3c4c(c2cc(ncc23)C(=O)NO)cccc4
Name:9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide
ZINC: ZINC000003818683
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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