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BioLiP

PDB CCD ID: 88D
Number of entries in BioLiP: 2
Chemical formula: C21 H20 N2 O2 Se
InChI: InChI=1S/C21H20N2O2Se/c1-15-8-5-6-11-17(15)22-20(24)18(14-16-9-3-2-4-10-16)23-21(25)19-12-7-13-26-19/h2-13,18H,14H2,1H3,(H,22,24)(H,23,25)/t18-/m1/s1
InChIKey: AGKDXQQYJWMFAB-GOSISDBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3ccc[se]3
CACTVS 3.385Cc1ccccc1NC(=O)[CH](Cc2ccccc2)NC(=O)c3[se]ccc3
OpenEye OEToolkits 2.0.6Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccc[se]3
CACTVS 3.385Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3[se]ccc3
ACDLabs 12.01Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3[se]ccc3
Name:N-(2-methylphenyl)-Nalpha-(selenophene-2-carbonyl)-D-phenylalaninamide
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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