| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: EDO_A_24(3SWR) / Model_42(3SWR/A) = [3.5]
| Download | 321.65 | 14.62 | MTLKIDIKGRGKYKPASDYSIDDVKNVLMEKIFEESSRIINSDDDLEIIEKVDFRTDKINVLSLFSGCGGLDLGFELAGLAAVIGEQAAMEAFKDKDRFNELRNKSIFHTIYTNDLFKEANQTYKTNFPGHVIQHEKDIRQVKYFPKCNLILGGFPCPGFSEAGPRLIDDDRNFLYLHFIRSLIQAQPEIFVAENVKGMMTLGKGEVLNQIIEDFASAGYRVQFKLLNARDYGVPQLRERVIIEGVRKDISFNYKYPSPTHGEETGLKPFKTLRDSIGDLVTDPGPYFTGSYSSIYMSRNRKKSWDEQSFTIQASGRQAPLHPGGLSMKKIGKDKWVFPDGEENHRRLSVKEIARVQTFPDWFQFSQGTNSQTSINNRLDKQYKQIGNAVPVLLAKAVASPIANWAINYLESSPNNKIKNRERKLSIRTFLRIKTS |
| Complex: NACID_G_7(3UBT) / Model_2(3UBT/Y) = [3.5]
| Download | - | - | MTLKIDIKGRGKYKPASDYSIDDVKNVLMEKIFEESSRIINSDDDLEIIEKVDFRTDKINVLSLFSGCGGLDLGFELAGLAAVIGEQAAMEAFKDKDRFNELRNKSIFHTIYTNDLFKEANQTYKTNFPGHVIQHEKDIRQVKYFPKCNLILGGFPCPGFSEAGPRLIDDDRNFLYLHFIRSLIQAQPEIFVAENVKGMMTLGKGEVLNQIIEDFASAGYRVQFKLLNARDYGVPQLRERVIIEGVRKDISFNYKYPSPTHGEETGLKPFKTLRDSIGDLVTDPGPYFTGSYSSIYMSRNRKKSWDEQSFTIQASGRQAPLHPGGLSMKKIGKDKWVFPDGEENHRRLSVKEIARVQTFPDWFQFSQGTNSQTSINNRLDKQYKQIGNAVPVLLAKAVASPIANWAINYLESSPNNKIKNRERKLSIRTFLRIKTS |
| Complex: NACID_H_8(3UBT) / Model_2(3UBT/Y) = [5.1]
| Download | - | - | MTLKIDIKGRGKYKPASDYSIDDVKNVLMEKIFEESSRIINSDDDLEIIEKVDFRTDKINVLSLFSGCGGLDLGFELAGLAAVIGEQAAMEAFKDKDRFNELRNKSIFHTIYTNDLFKEANQTYKTNFPGHVIQHEKDIRQVKYFPKCNLILGGFPCPGFSEAGPRLIDDDRNFLYLHFIRSLIQAQPEIFVAENVKGMMTLGKGEVLNQIIEDFASAGYRVQFKLLNARDYGVPQLRERVIIEGVRKDISFNYKYPSPTHGEETGLKPFKTLRDSIGDLVTDPGPYFTGSYSSIYMSRNRKKSWDEQSFTIQASGRQAPLHPGGLSMKKIGKDKWVFPDGEENHRRLSVKEIARVQTFPDWFQFSQGTNSQTSINNRLDKQYKQIGNAVPVLLAKAVASPIANWAINYLESSPNNKIKNRERKLSIRTFLRIKTS |
| Complex: NACID_F_6(3UBT) / Model_23(3UBT/A) = [5.2]
| Download | - | - | MTLKIDIKGRGKYKPASDYSIDDVKNVLMEKIFEESSRIINSDDDLEIIEKVDFRTDKINVLSLFSGCGGLDLGFELAGLAAVIGEQAAMEAFKDKDRFNELRNKSIFHTIYTNDLFKEANQTYKTNFPGHVIQHEKDIRQVKYFPKCNLILGGFPCPGFSEAGPRLIDDDRNFLYLHFIRSLIQAQPEIFVAENVKGMMTLGKGEVLNQIIEDFASAGYRVQFKLLNARDYGVPQLRERVIIEGVRKDISFNYKYPSPTHGEETGLKPFKTLRDSIGDLVTDPGPYFTGSYSSIYMSRNRKKSWDEQSFTIQASGRQAPLHPGGLSMKKIGKDKWVFPDGEENHRRLSVKEIARVQTFPDWFQFSQGTNSQTSINNRLDKQYKQIGNAVPVLLAKAVASPIANWAINYLESSPNNKIKNRERKLSIRTFLRIKTS |
| Complex: NACID_E_5(3UBT) / Model_23(3UBT/A) = [5.4]
| Download | - | - | MTLKIDIKGRGKYKPASDYSIDDVKNVLMEKIFEESSRIINSDDDLEIIEKVDFRTDKINVLSLFSGCGGLDLGFELAGLAAVIGEQAAMEAFKDKDRFNELRNKSIFHTIYTNDLFKEANQTYKTNFPGHVIQHEKDIRQVKYFPKCNLILGGFPCPGFSEAGPRLIDDDRNFLYLHFIRSLIQAQPEIFVAENVKGMMTLGKGEVLNQIIEDFASAGYRVQFKLLNARDYGVPQLRERVIIEGVRKDISFNYKYPSPTHGEETGLKPFKTLRDSIGDLVTDPGPYFTGSYSSIYMSRNRKKSWDEQSFTIQASGRQAPLHPGGLSMKKIGKDKWVFPDGEENHRRLSVKEIARVQTFPDWFQFSQGTNSQTSINNRLDKQYKQIGNAVPVLLAKAVASPIANWAINYLESSPNNKIKNRERKLSIRTFLRIKTS |
Consensus
[pKd Mean = 4.54] | - | 321
(s=0) | 14
(s=0) | MTLKIDIKGRGKYKPASDYSIDDVKNVLMEKIFEESSRIINSDDDLEIIEKVDFRTDKINVLSLFSGCGGLDLGFELAGLAAVIGEQAAMEAFKDKDRFNELRNKSIFHTIYTNDLFKEANQTYKTNFPGHVIQHEKDIRQVKYFPKCNLILGGFPCPGFSEAGPRLIDDDRNFLYLHFIRSLIQAQPEIFVAENVKGMMTLGKGEVLNQIIEDFASAGYRVQFKLLNARDYGVPQLRERVIIEGVRKDISFNYKYPSPTHGEETGLKPFKTLRDSIGDLVTDPGPYFTGSYSSIYMSRNRKKSWDEQSFTIQASGRQAPLHPGGLSMKKIGKDKWVFPDGEENHRRLSVKEIARVQTFPDWFQFSQGTNSQTSINNRLDKQYKQIGNAVPVLLAKAVASPIANWAINYLESSPNNKIKNRERKLSIRTFLRIKTS |