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BioLiP Library

PDB CCD ID: 7ZQ
Number of entries in BioLiP: 4
Chemical formula: C17 H17 Cl N2 O2
InChI: InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKey: MWDVCHRYCKXEBY-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(c1ccccc1)NC(=O)CNC(=O)c2cccc(c2)Cl
CACTVS 3.385C[CH](NC(=O)CNC(=O)c1cccc(Cl)c1)c2ccccc2
OpenEye OEToolkits 2.0.7C[C@@H](c1ccccc1)NC(=O)CNC(=O)c2cccc(c2)Cl
CACTVS 3.385C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c2ccccc2
Name:3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
ChEMBL: CHEMBL3633720
ZINC: ZINC000003429078
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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