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BioLiP

PDB CCD ID: JOV
Number of entries in BioLiP: 10
Chemical formula: C11 H14 Cl N O2
InChI: InChI=1S/C11H14ClNO2/c1-11(2,7-14)13-10(15)8-4-3-5-9(12)6-8/h3-6,14H,7H2,1-2H3,(H,13,15)
InChIKey: XZDXDRPMHCVWBK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(C)(CO)NC(=O)c1cccc(c1)Cl
CACTVS 3.385CC(C)(CO)NC(=O)c1cccc(Cl)c1
ACDLabs 12.01c1ccc(cc1C(NC(C)(CO)C)=O)Cl
Name:3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
ZINC: ZINC000000621626
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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