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BioLiP

PDB CCD ID: YU7
Number of entries in BioLiP: 1
Chemical formula: C18 H15 Cl N2 O2
InChI: InChI=1S/C18H15ClN2O2/c19-17-9-5-4-8-14(17)10-21-11-15(13-6-2-1-3-7-13)16(12-21)18(22)20-23/h1-9,11-12,23H,10H2,(H,20,22)
InChIKey: SFMZKKRSVVMNSR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ONC(=O)c1cn(Cc2ccccc2Cl)cc1c3ccccc3
ACDLabs 12.01Clc1ccccc1Cn2cc(c(c2)C(=O)NO)c3ccccc3
OpenEye OEToolkits 1.9.2c1ccc(cc1)c2cn(cc2C(=O)NO)Cc3ccccc3Cl
Name:1-[(2-chlorophenyl)methyl]-N-hydroxy-4-phenyl-1H-pyrrole-3-carboxamide
ZINC: ZINC000036661491
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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