| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: EDO_B_11(2C5W) / Model_9(2C5W/B) = [3.1]
| Download | 302.48 | 16.64 | MADKPQTRSQYRNKQSGGSKKKSQKRGKRVAANIFKTIFFVGLFLAFFGIAAGATVFYDYAKDAPKLTDSKLRDPLSSKLLDKDGKVFAEVGTERREYIEYKDIPETLKNAILTTEDARFYEHDGIDPIRLGGAVIANLTDGFGAEGASTLSQQIIKMSYLDYTNKTLARKAQEAWLALQLEEKYSKNDILEIYVNKVYMSDRVHGMQTASEHYFGKNVKDLTLAQTALLAGMPQSPNNYNPYEHPEAAKKRRDQVLTNMYTHDKITKEEMTEAQKTPITTGLRSKKDREDKIYKYDSYVTQVLSEIPKEYDVYRDGLTIHTALDRDAQEYTEKMLNTNEIVNFTDDEMQAGIVLQDTKTGRVQAIGGGRKQKVTRGYNYATQVKRSVGSTMKPIADYGPAFEYLDWSTAHILEDEPYTYSGGTPINNWDFGYKGPISVRQALYQSRNIPALKTLQAVGLDKSEEFVNKLGITYDEGQNVESNAIGANSSNPMQMAGAYAAFGNKGIYNKPHTVTKIVLSDGQTEIDTEPQSTVAMKESTAYMVSDVLKDVLSIGTGTSAAVPGVPAAGKTGTTNIPPEFTSKYYYPSGAARDSWFAGYTTNYSIAVWTGYDDKKKYVSASEQKIAQRMFSKLMAHASAGKTTADFKMPSNVVSVPILKGSNPIARAAQGTSSDKVSYELFLSGTAPTKTASTPEDEKKKAEEAAKKKKAEEDKKKTDEEKKKEEEAKKKAEEEAKKKAEEEAKNLTAPAGLRASYNAGSKQINVSWSAVEGATYEVTVNGSTTTVSSTSVSVSGGNPGDTVSINVVAVKDGKRSPASSTTVKIPDS |
| Complex: TEB_B_13(2ZC6) / Model_8(2ZC6/B) = [3.2]
| Download | 940.85 | 21.17 | MADKPQTRSQYRNKQSGGSKKKSQKRGKRVAANIFKTIFFVGLFLAFFGIAAGATVFYDYAKDAPKLTDSKLRDPLSSKLLDKDGKVFAEVGTERREYIEYKDIPETLKNAILTTEDARFYEHDGIDPIRLGGAVIANLTDGFGAEGASTLSQQIIKMSYLDYTNKTLARKAQEAWLALQLEEKYSKNDILEIYVNKVYMSDRVHGMQTASEHYFGKNVKDLTLAQTALLAGMPQSPNNYNPYEHPEAAKKRRDQVLTNMYTHDKITKEEMTEAQKTPITTGLRSKKDREDKIYKYDSYVTQVLSEIPKEYDVYRDGLTIHTALDRDAQEYTEKMLNTNEIVNFTDDEMQAGIVLQDTKTGRVQAIGGGRKQKVTRGYNYATQVKRSVGSTMKPIADYGPAFEYLDWSTAHILEDEPYTYSGGTPINNWDFGYKGPISVRQALYQSRNIPALKTLQAVGLDKSEEFVNKLGITYDEGQNVESNAIGANSSNPMQMAGAYAAFGNKGIYNKPHTVTKIVLSDGQTEIDTEPQSTVAMKESTAYMVSDVLKDVLSIGTGTSAAVPGVPAAGKTGTTNIPPEFTSKYYYPSGAARDSWFAGYTTNYSIAVWTGYDDKKKYVSASEQKIAQRMFSKLMAHASAGKTTADFKMPSNVVSVPILKGSNPIARAAQGTSSDKVSYELFLSGTAPTKTASTPEDEKKKAEEAAKKKKAEEDKKKTDEEKKKEEEAKKKAEEEAKKKAEEEAKNLTAPAGLRASYNAGSKQINVSWSAVEGATYEVTVNGSTTTVSSTSVSVSGGNPGDTVSINVVAVKDGKRSPASSTTVKIPDS |
| Complex: TEB_D_14(2ZC6) / Model_24(2ZC6/D) = [3.2]
| Download | 1182.57 | 19.12 | MADKPQTRSQYRNKQSGGSKKKSQKRGKRVAANIFKTIFFVGLFLAFFGIAAGATVFYDYAKDAPKLTDSKLRDPLSSKLLDKDGKVFAEVGTERREYIEYKDIPETLKNAILTTEDARFYEHDGIDPIRLGGAVIANLTDGFGAEGASTLSQQIIKMSYLDYTNKTLARKAQEAWLALQLEEKYSKNDILEIYVNKVYMSDRVHGMQTASEHYFGKNVKDLTLAQTALLAGMPQSPNNYNPYEHPEAAKKRRDQVLTNMYTHDKITKEEMTEAQKTPITTGLRSKKDREDKIYKYDSYVTQVLSEIPKEYDVYRDGLTIHTALDRDAQEYTEKMLNTNEIVNFTDDEMQAGIVLQDTKTGRVQAIGGGRKQKVTRGYNYATQVKRSVGSTMKPIADYGPAFEYLDWSTAHILEDEPYTYSGGTPINNWDFGYKGPISVRQALYQSRNIPALKTLQAVGLDKSEEFVNKLGITYDEGQNVESNAIGANSSNPMQMAGAYAAFGNKGIYNKPHTVTKIVLSDGQTEIDTEPQSTVAMKESTAYMVSDVLKDVLSIGTGTSAAVPGVPAAGKTGTTNIPPEFTSKYYYPSGAARDSWFAGYTTNYSIAVWTGYDDKKKYVSASEQKIAQRMFSKLMAHASAGKTTADFKMPSNVVSVPILKGSNPIARAAQGTSSDKVSYELFLSGTAPTKTASTPEDEKKKAEEAAKKKKAEEDKKKTDEEKKKEEEAKKKAEEEAKKKAEEEAKNLTAPAGLRASYNAGSKQINVSWSAVEGATYEVTVNGSTTTVSSTSVSVSGGNPGDTVSINVVAVKDGKRSPASSTTVKIPDS |
| Complex: PNM_A_3(3UDI) / Model_79(3UDI/A) = [3.4]
| Download | 1116.85 | 16.73 | MADKPQTRSQYRNKQSGGSKKKSQKRGKRVAANIFKTIFFVGLFLAFFGIAAGATVFYDYAKDAPKLTDSKLRDPLSSKLLDKDGKVFAEVGTERREYIEYKDIPETLKNAILTTEDARFYEHDGIDPIRLGGAVIANLTDGFGAEGASTLSQQIIKMSYLDYTNKTLARKAQEAWLALQLEEKYSKNDILEIYVNKVYMSDRVHGMQTASEHYFGKNVKDLTLAQTALLAGMPQSPNNYNPYEHPEAAKKRRDQVLTNMYTHDKITKEEMTEAQKTPITTGLRSKKDREDKIYKYDSYVTQVLSEIPKEYDVYRDGLTIHTALDRDAQEYTEKMLNTNEIVNFTDDEMQAGIVLQDTKTGRVQAIGGGRKQKVTRGYNYATQVKRSVGSTMKPIADYGPAFEYLDWSTAHILEDEPYTYSGGTPINNWDFGYKGPISVRQALYQSRNIPALKTLQAVGLDKSEEFVNKLGITYDEGQNVESNAIGANSSNPMQMAGAYAAFGNKGIYNKPHTVTKIVLSDGQTEIDTEPQSTVAMKESTAYMVSDVLKDVLSIGTGTSAAVPGVPAAGKTGTTNIPPEFTSKYYYPSGAARDSWFAGYTTNYSIAVWTGYDDKKKYVSASEQKIAQRMFSKLMAHASAGKTTADFKMPSNVVSVPILKGSNPIARAAQGTSSDKVSYELFLSGTAPTKTASTPEDEKKKAEEAAKKKKAEEDKKKTDEEKKKEEEAKKKAEEEAKKKAEEEAKNLTAPAGLRASYNAGSKQINVSWSAVEGATYEVTVNGSTTTVSSTSVSVSGGNPGDTVSINVVAVKDGKRSPASSTTVKIPDS |
| Complex: PCZ_B_12(2C5W) / Model_9(2C5W/B) = [3.4]
| Download | 1155.26 | 13.54 | MADKPQTRSQYRNKQSGGSKKKSQKRGKRVAANIFKTIFFVGLFLAFFGIAAGATVFYDYAKDAPKLTDSKLRDPLSSKLLDKDGKVFAEVGTERREYIEYKDIPETLKNAILTTEDARFYEHDGIDPIRLGGAVIANLTDGFGAEGASTLSQQIIKMSYLDYTNKTLARKAQEAWLALQLEEKYSKNDILEIYVNKVYMSDRVHGMQTASEHYFGKNVKDLTLAQTALLAGMPQSPNNYNPYEHPEAAKKRRDQVLTNMYTHDKITKEEMTEAQKTPITTGLRSKKDREDKIYKYDSYVTQVLSEIPKEYDVYRDGLTIHTALDRDAQEYTEKMLNTNEIVNFTDDEMQAGIVLQDTKTGRVQAIGGGRKQKVTRGYNYATQVKRSVGSTMKPIADYGPAFEYLDWSTAHILEDEPYTYSGGTPINNWDFGYKGPISVRQALYQSRNIPALKTLQAVGLDKSEEFVNKLGITYDEGQNVESNAIGANSSNPMQMAGAYAAFGNKGIYNKPHTVTKIVLSDGQTEIDTEPQSTVAMKESTAYMVSDVLKDVLSIGTGTSAAVPGVPAAGKTGTTNIPPEFTSKYYYPSGAARDSWFAGYTTNYSIAVWTGYDDKKKYVSASEQKIAQRMFSKLMAHASAGKTTADFKMPSNVVSVPILKGSNPIARAAQGTSSDKVSYELFLSGTAPTKTASTPEDEKKKAEEAAKKKKAEEDKKKTDEEKKKEEEAKKKAEEEAKKKAEEEAKNLTAPAGLRASYNAGSKQINVSWSAVEGATYEVTVNGSTTTVSSTSVSVSGGNPGDTVSINVVAVKDGKRSPASSTTVKIPDS |
Consensus
[pKd Mean = 3.26] | - | 939
(s=329) | 17
(s=2) | MADKPQTRSQYRNKQSGGSKKKSQKRGKRVAANIFKTIFFVGLFLAFFGIAAGATVFYDYAKDAPKLTDSKLRDPLSSKLLDKDGKVFAEVGTERREYIEYKDIPETLKNAILTTEDARFYEHDGIDPIRLGGAVIANLTDGFGAEGASTLSQQIIKMSYLDYTNKTLARKAQEAWLALQLEEKYSKNDILEIYVNKVYMSDRVHGMQTASEHYFGKNVKDLTLAQTALLAGMPQSPNNYNPYEHPEAAKKRRDQVLTNMYTHDKITKEEMTEAQKTPITTGLRSKKDREDKIYKYDSYVTQVLSEIPKEYDVYRDGLTIHTALDRDAQEYTEKMLNTNEIVNFTDDEMQAGIVLQDTKTGRVQAIGGGRKQKVTRGYNYATQVKRSVGSTMKPIADYGPAFEYLDWSTAHILEDEPYTYSGGTPINNWDFGYKGPISVRQALYQSRNIPALKTLQAVGLDKSEEFVNKLGITYDEGQNVESNAIGANSSNPMQMAGAYAAFGNKGIYNKPHTVTKIVLSDGQTEIDTEPQSTVAMKESTAYMVSDVLKDVLSIGTGTSAAVPGVPAAGKTGTTNIPPEFTSKYYYPSGAARDSWFAGYTTNYSIAVWTGYDDKKKYVSASEQKIAQRMFSKLMAHASAGKTTADFKMPSNVVSVPILKGSNPIARAAQGTSSDKVSYELFLSGTAPTKTASTPEDEKKKAEEAAKKKKAEEDKKKTDEEKKKEEEAKKKAEEEAKKKAEEEAKNLTAPAGLRASYNAGSKQINVSWSAVEGATYEVTVNGSTTTVSSTSVSVSGGNPGDTVSINVVAVKDGKRSPASSTTVKIPDS |