Receptor
PDB id Resolution Class Description Source Keywords
2OAZ 1.9 Å EC: 3.4.11.18 HUMAN METHIONINE AMINOPEPTIDASE-2 COMPLEXED WITH SB-587094 HOMO SAPIENS METAP2 METHIONINE AMINO PEPTIDASE HYDROLASE
Ref.: HIGHLY POTENT INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 BASED ON A 1,2,4-TRIAZOLE PHARMACOPHORE. J.MED.CHEM. V. 50 3777 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO A:479;
A:480;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.933 Co [Co+2...
I96 A:501;
Valid;
none;
Ki = 2 nM
330.471 C16 H18 N4 S2 CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OAZ 1.9 Å EC: 3.4.11.18 HUMAN METHIONINE AMINOPEPTIDASE-2 COMPLEXED WITH SB-587094 HOMO SAPIENS METAP2 METHIONINE AMINO PEPTIDASE HYDROLASE
Ref.: HIGHLY POTENT INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 BASED ON A 1,2,4-TRIAZOLE PHARMACOPHORE. J.MED.CHEM. V. 50 3777 2007
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2GA2 ic50 = 3 uM A19 C13 H9 Br Cl N O4 S c1cc(ccc1S....
2 2ADU Ki = 18 nM R20 C9 H9 N3 Cc1cccc(c1....
3 6QEI - HZE C22 H24 F2 N4 O2 CC(C)Oc1cc....
4 6QEF ic50 = 0.06 uM HZW C18 H16 Cl F N2 O3 c1ccc(cc1)....
5 6QEJ - HZT C14 H13 F N4 O2 S2 c1cc(sc1)S....
6 6QEH - HZQ C9 H6 Cl N O c1cc2c(ccc....
7 1R58 - AO5 C15 H22 Cl N3 O3 S CC(C)SCC[C....
8 5JHU - 6KO C18 H19 N5 O3 COc1ccccc1....
9 1YW9 ic50 = 0.019 uM A84 C22 H25 F N2 O4 S CN(C)CC=C/....
10 2EA2 ic50 = 0.016 uM F77 C16 H16 F N O4 S CCc1ccc(c(....
11 6QEG ic50 = 0.05 uM K4K C17 H18 N2 O3 S c1ccc(cc1)....
12 5LYX ic50 = 0.038 uM 7BF C19 H18 N6 O c1cc2cnccc....
13 5JI6 ic50 = 0.011 uM 6KN C14 H10 F3 N3 Cc1cnccc1c....
14 5JFR ic50 = 5 nM 6KP C16 H11 F N6 Cc1c(cc2c(....
15 5LYW ic50 = 0.7 uM 7BH C17 H19 N5 O Cc1ccccc1O....
16 1R5H ic50 = 0.17 uM AO2 C17 H27 N3 O2 Cc1ccc(cc1....
17 1YW7 ic50 = 1.4 uM A41 C14 H13 N O4 S Cc1ccc(c(c....
18 2EA4 ic50 = 0.046 uM F79 C17 H19 F N2 O5 S CCc1ccc(c(....
19 1R5G - AO1 C19 H26 N2 O2 S CCSCC[C@@H....
20 6QED ic50 = 0.015 uM HZK C21 H19 Cl F N3 O4 c1cc2c(cc1....
21 2OAZ Ki = 2 nM I96 C16 H18 N4 S2 CC(C)c1ccc....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2GA2 ic50 = 3 uM A19 C13 H9 Br Cl N O4 S c1cc(ccc1S....
2 2ADU Ki = 18 nM R20 C9 H9 N3 Cc1cccc(c1....
3 6QEI - HZE C22 H24 F2 N4 O2 CC(C)Oc1cc....
4 6QEF ic50 = 0.06 uM HZW C18 H16 Cl F N2 O3 c1ccc(cc1)....
5 6QEJ - HZT C14 H13 F N4 O2 S2 c1cc(sc1)S....
6 6QEH - HZQ C9 H6 Cl N O c1cc2c(ccc....
7 1R58 - AO5 C15 H22 Cl N3 O3 S CC(C)SCC[C....
8 5JHU - 6KO C18 H19 N5 O3 COc1ccccc1....
9 1YW9 ic50 = 0.019 uM A84 C22 H25 F N2 O4 S CN(C)CC=C/....
10 2EA2 ic50 = 0.016 uM F77 C16 H16 F N O4 S CCc1ccc(c(....
11 6QEG ic50 = 0.05 uM K4K C17 H18 N2 O3 S c1ccc(cc1)....
12 5LYX ic50 = 0.038 uM 7BF C19 H18 N6 O c1cc2cnccc....
13 5JI6 ic50 = 0.011 uM 6KN C14 H10 F3 N3 Cc1cnccc1c....
14 5JFR ic50 = 5 nM 6KP C16 H11 F N6 Cc1c(cc2c(....
15 5LYW ic50 = 0.7 uM 7BH C17 H19 N5 O Cc1ccccc1O....
16 1R5H ic50 = 0.17 uM AO2 C17 H27 N3 O2 Cc1ccc(cc1....
17 1YW7 ic50 = 1.4 uM A41 C14 H13 N O4 S Cc1ccc(c(c....
18 2EA4 ic50 = 0.046 uM F79 C17 H19 F N2 O5 S CCc1ccc(c(....
19 1R5G - AO1 C19 H26 N2 O2 S CCSCC[C@@H....
20 6QED ic50 = 0.015 uM HZK C21 H19 Cl F N3 O4 c1cc2c(cc1....
21 2OAZ Ki = 2 nM I96 C16 H18 N4 S2 CC(C)c1ccc....
22 1KQ9 - MET C5 H11 N O2 S CSCC[C@@H]....
23 1KQ0 - MED C5 H11 N O2 S CSCC[C@H](....
24 1QZY ic50 ~ 800 nM TDE C18 H32 N2 O7 CC(C)(C)C=....
50% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2GA2 ic50 = 3 uM A19 C13 H9 Br Cl N O4 S c1cc(ccc1S....
2 2ADU Ki = 18 nM R20 C9 H9 N3 Cc1cccc(c1....
3 6QEI - HZE C22 H24 F2 N4 O2 CC(C)Oc1cc....
4 6QEF ic50 = 0.06 uM HZW C18 H16 Cl F N2 O3 c1ccc(cc1)....
5 6QEJ - HZT C14 H13 F N4 O2 S2 c1cc(sc1)S....
6 6QEH - HZQ C9 H6 Cl N O c1cc2c(ccc....
7 1R58 - AO5 C15 H22 Cl N3 O3 S CC(C)SCC[C....
8 5JHU - 6KO C18 H19 N5 O3 COc1ccccc1....
9 1YW9 ic50 = 0.019 uM A84 C22 H25 F N2 O4 S CN(C)CC=C/....
10 2EA2 ic50 = 0.016 uM F77 C16 H16 F N O4 S CCc1ccc(c(....
11 6QEG ic50 = 0.05 uM K4K C17 H18 N2 O3 S c1ccc(cc1)....
12 5LYX ic50 = 0.038 uM 7BF C19 H18 N6 O c1cc2cnccc....
13 5JI6 ic50 = 0.011 uM 6KN C14 H10 F3 N3 Cc1cnccc1c....
14 5JFR ic50 = 5 nM 6KP C16 H11 F N6 Cc1c(cc2c(....
15 5LYW ic50 = 0.7 uM 7BH C17 H19 N5 O Cc1ccccc1O....
16 1R5H ic50 = 0.17 uM AO2 C17 H27 N3 O2 Cc1ccc(cc1....
17 1YW7 ic50 = 1.4 uM A41 C14 H13 N O4 S Cc1ccc(c(c....
18 2EA4 ic50 = 0.046 uM F79 C17 H19 F N2 O5 S CCc1ccc(c(....
19 1R5G - AO1 C19 H26 N2 O2 S CCSCC[C@@H....
20 6QED ic50 = 0.015 uM HZK C21 H19 Cl F N3 O4 c1cc2c(cc1....
21 2OAZ Ki = 2 nM I96 C16 H18 N4 S2 CC(C)c1ccc....
22 1KQ9 - MET C5 H11 N O2 S CSCC[C@@H]....
23 1KQ0 - MED C5 H11 N O2 S CSCC[C@H](....
24 1QZY ic50 ~ 800 nM TDE C18 H32 N2 O7 CC(C)(C)C=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: I96; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 I96 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OAZ; Ligand: I96; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2oaz.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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