Receptor
PDB id Resolution Class Description Source Keywords
1AEM 2.1 Å EC: 1.11.1.5 SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT TH SITE OF CYTOCHROME C PEROXIDASE (IMIDAZO[1,2-A]PYRIDINE) SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE PEROXIDASE TRANSIT PEPTIDE
Ref.: ARTIFICIAL PROTEIN CAVITIES AS SPECIFIC LIGAND-BIND TEMPLATES: CHARACTERIZATION OF AN ENGINEERED HETERO CATION-BINDING SITE THAT PRESERVES THE EVOLVED SPEC OF THE PARENT PROTEIN. J.MOL.BIOL. V. 315 845 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:295;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
MPI A:296;
 Valid;
 none;
 submit data
119.144 C7 H7 N2 c1cc[...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5U61 1.22 Å EC: 1.11.1.5 CCP GATELESS CAVITY SACCHAROMYCES CEREVISIAE (STRAIN RM11-ORGANISM_COMMON: BAKER-prime S YEAST MODEL SYSTEM CYTOCHROME C PEROXIDASE GIST DESOLVATION DOLIGAND BINDING OXIDOREDUCTASE
Ref.: TESTING INHOMOGENEOUS SOLVATION THEORY IN STRUCTURE LIGAND DISCOVERY. PROC. NATL. ACAD. SCI. V. 114 E6839 2017 U.S.A.
Members (79)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4JPL - 4JP C7 H6 N2 c1cc2c(cc[....
2 2EUS - ABN C7 H9 N c1ccc(cc1)....
3 2RBV - 278 C6 H10 N2 Cn1cccc1CN
4 2EUU - BVG C4 H6 N2 O c1cnc([nH]....
5 1AEH - 24T C4 H6 N2 S Cc1csc(n1)....
6 5U5X Kd = 1.3 uM TP5 C5 H6 N2 S [H]/N=C(c1....
7 4JM6 - LG3 C4 H6 N4 c1cnc(nc1N....
8 4JQM - 1LQ C8 H7 N3 c1ccc2c(c1....
9 5UG2 Kd ~ 712 uM 86J C8 H8 F N3 Cc1c(n2cc(....
10 2RBZ - 282 C6 H7 N O COc1cccnc1
11 2RC1 - 285 C6 H13 N O CC1[C@H](O....
12 1AEU - 2MZ C4 H6 N2 Cc1[nH]ccn....
13 1AED - DTI C5 H8 N S Cc1csc[n+]....
14 4JMZ Kd = 288 uM 1M2 C8 H9 N3 CNc1[nH]c2....
15 2AS4 Kd = 7.7 mM 3FA C6 H5 F O2 c1cc(c(c(c....
16 4JM9 - LG5 C6 H10 N2 CN1CC=CC(=....
17 1AEK - IDM C8 H9 N c1ccc2c(c1....
18 5U5Y Kd = 522 uM 7W4 C8 H9 N3 Cc1c(n2ccc....
19 1AEV - AMT C3 H4 N2 S c1csc(n1)N
20 4A78 - JZ3 C7 H8 O2 COc1ccccc1....
21 1CMP Kd = 0.027 mM DMI C5 H9 N2 Cc1[nH+]cc....
22 2AS6 - 1CB C5 H11 N C1CCC(C1)N
23 5U61 Kd = 0.04 uM 7WG C6 H9 N3 c1c([nH]c(....
24 2EUP Kd = 0.04 mM LG4 C6 H8 N2 Cc1ccc(nc1....
25 2RBY - 280 C5 H6 N2 O Cn1cncc1C=....
26 4XV5 - BZI C7 H6 N2 c1ccc2c(c1....
27 1CCI - DMI C5 H9 N2 Cc1[nH+]cc....
28 1RYC - BZI C7 H6 N2 c1ccc2c(c1....
29 5U5Z Kd = 3472 uM 7VP C10 H10 N2 Cc1c[nH]c(....
30 2AS3 Kd = 4.1 mM IPH C6 H6 O c1ccc(cc1)....
31 4XV8 - BEN C7 H8 N2 [H]/N=C(c1....
32 1KXM Kd = 0.14 mM BZI C7 H6 N2 c1ccc2c(c1....
33 2EUN Kd = 0.05 mM LG3 C4 H6 N4 c1cnc(nc1N....
34 4XV7 - 1LQ C8 H7 N3 c1ccc2c(c1....
35 4JQK - 1LN C7 H11 N2 O C1=CC=[N](....
36 2AS2 - 2IM C5 H10 N2 C1CCNC(=N)....
37 2EUQ Kd = 0.05 mM BVC C5 H7 N S c1cscc1CN
38 4A6Z - JZ3 C7 H8 O2 COc1ccccc1....
39 1AEB - 3MT C4 H6 N S C[n+]1ccsc....
40 4JQJ - 1LM C9 H8 N2 c1ccc2c(c1....
41 4JMA - 3FA C6 H5 F O2 c1cc(c(c(c....
42 1AET - 1MZ C4 H7 N2 Cn1cc[nH+]....
43 2X08 - ASC C6 H8 O6 C([C@@H]([....
44 2AS1 Kd = 0.02 mM TP5 C5 H6 N2 S [H]/N=C(c1....
45 1AEJ - NVI C5 H7 N2 C=C[n+]1cc....
46 2Y5A Kd = 0.055 mM 3AP C5 H7 N2 c1cc(c[nH+....
47 1AEO - 2AP C5 H7 N2 c1cc[nH+]c....
48 2EUT - BVF C6 H8 N2 Cc1ccnc(c1....
49 2RBU - 273 C6 H12 N2 [H]/N=C(C1....
50 4A71 - IPH C6 H6 O c1ccc(cc1)....
51 3EXB - EXB GLY ALA ALA NH2 n/a n/a
52 4JQN - HBA C7 H6 O2 c1cc(ccc1C....
53 5U5V Kd = 29.6 uM 7WA C7 H7 N3 c1cc(c2c(c....
54 5U5U Kd = 619 uM NTN C6 H7 N3 c1cnccc1C(....
55 2RC0 - 284 C6 H12 N2 C[C@H]1CCN....
56 4JPU - BEN C7 H8 N2 [H]/N=C(c1....
57 1AC8 - TMZ C6 H10 N S Cc1c(sc[n+....
58 1AEQ - 2EZ C5 H8 N2 CCc1[nH]cc....
59 2RBT - 271 C8 H11 N CNCc1ccccc....
60 2ANZ Kd = 0.06 mM 26D C5 H7 N3 c1cc(nc(c1....
61 1AEF - 3AP C5 H7 N2 c1cc(c[nH+....
62 5U60 - 7VS C9 H9 N3 c1ccc2c(c1....
63 4XV4 Kd = 68 mM 25T C4 H7 N2 S Cc1c[nH+]c....
64 1AEM - MPI C7 H7 N2 c1cc[n+]2c....
65 4JPT - Q24 C8 H8 N4 c1ccc2c(c1....
66 2RBX - 3AY C4 H7 N5 c1c(nc(nc1....
67 4JM8 - 26D C5 H7 N3 c1cc(nc(c1....
68 4JMW - IPH C6 H6 O c1ccc(cc1)....
69 2RBW - 275 C7 H11 N2 Cc1ccc(c[n....
70 2RC2 - 286 C8 H10 N C[n+]1cccc....
71 1AEN - 25T C4 H7 N2 S Cc1c[nH+]c....
72 2V2E - ISZ C6 H5 N3 O [H]/N=N/C(....
73 5U5W Kd = 154 uM 7W1 C10 H10 N2 Cc1cnc2ccc....
74 4JM5 - 25T C4 H7 N2 S Cc1c[nH+]c....
75 2EUO - LG5 C6 H10 N2 CN1CC=CC(=....
76 1AEG - 4AP C5 H7 N2 c1c[nH+]cc....
77 2AQD - DA1 C5 H7 N3 c1cc(ncc1N....
78 1AC4 - TMT C6 H10 N S Cc1csc([n+....
79 2EUR - PY7 C6 H7 N O c1cnccc1CO
70% Homology Family (79)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4JPL - 4JP C7 H6 N2 c1cc2c(cc[....
2 2EUS - ABN C7 H9 N c1ccc(cc1)....
3 2RBV - 278 C6 H10 N2 Cn1cccc1CN
4 2EUU - BVG C4 H6 N2 O c1cnc([nH]....
5 1AEH - 24T C4 H6 N2 S Cc1csc(n1)....
6 5U5X Kd = 1.3 uM TP5 C5 H6 N2 S [H]/N=C(c1....
7 4JM6 - LG3 C4 H6 N4 c1cnc(nc1N....
8 4JQM - 1LQ C8 H7 N3 c1ccc2c(c1....
9 5UG2 Kd ~ 712 uM 86J C8 H8 F N3 Cc1c(n2cc(....
10 2RBZ - 282 C6 H7 N O COc1cccnc1
11 2RC1 - 285 C6 H13 N O CC1[C@H](O....
12 1AEU - 2MZ C4 H6 N2 Cc1[nH]ccn....
13 1AED - DTI C5 H8 N S Cc1csc[n+]....
14 4JMZ Kd = 288 uM 1M2 C8 H9 N3 CNc1[nH]c2....
15 2AS4 Kd = 7.7 mM 3FA C6 H5 F O2 c1cc(c(c(c....
16 4JM9 - LG5 C6 H10 N2 CN1CC=CC(=....
17 1AEK - IDM C8 H9 N c1ccc2c(c1....
18 5U5Y Kd = 522 uM 7W4 C8 H9 N3 Cc1c(n2ccc....
19 1AEV - AMT C3 H4 N2 S c1csc(n1)N
20 4A78 - JZ3 C7 H8 O2 COc1ccccc1....
21 1CMP Kd = 0.027 mM DMI C5 H9 N2 Cc1[nH+]cc....
22 2AS6 - 1CB C5 H11 N C1CCC(C1)N
23 5U61 Kd = 0.04 uM 7WG C6 H9 N3 c1c([nH]c(....
24 2EUP Kd = 0.04 mM LG4 C6 H8 N2 Cc1ccc(nc1....
25 2RBY - 280 C5 H6 N2 O Cn1cncc1C=....
26 4XV5 - BZI C7 H6 N2 c1ccc2c(c1....
27 1CCI - DMI C5 H9 N2 Cc1[nH+]cc....
28 1RYC - BZI C7 H6 N2 c1ccc2c(c1....
29 5U5Z Kd = 3472 uM 7VP C10 H10 N2 Cc1c[nH]c(....
30 2AS3 Kd = 4.1 mM IPH C6 H6 O c1ccc(cc1)....
31 4XV8 - BEN C7 H8 N2 [H]/N=C(c1....
32 1KXM Kd = 0.14 mM BZI C7 H6 N2 c1ccc2c(c1....
33 2EUN Kd = 0.05 mM LG3 C4 H6 N4 c1cnc(nc1N....
34 4XV7 - 1LQ C8 H7 N3 c1ccc2c(c1....
35 4JQK - 1LN C7 H11 N2 O C1=CC=[N](....
36 2AS2 - 2IM C5 H10 N2 C1CCNC(=N)....
37 2EUQ Kd = 0.05 mM BVC C5 H7 N S c1cscc1CN
38 4A6Z - JZ3 C7 H8 O2 COc1ccccc1....
39 1AEB - 3MT C4 H6 N S C[n+]1ccsc....
40 4JQJ - 1LM C9 H8 N2 c1ccc2c(c1....
41 4JMA - 3FA C6 H5 F O2 c1cc(c(c(c....
42 1AET - 1MZ C4 H7 N2 Cn1cc[nH+]....
43 2X08 - ASC C6 H8 O6 C([C@@H]([....
44 2AS1 Kd = 0.02 mM TP5 C5 H6 N2 S [H]/N=C(c1....
45 1AEJ - NVI C5 H7 N2 C=C[n+]1cc....
46 2Y5A Kd = 0.055 mM 3AP C5 H7 N2 c1cc(c[nH+....
47 1AEO - 2AP C5 H7 N2 c1cc[nH+]c....
48 2EUT - BVF C6 H8 N2 Cc1ccnc(c1....
49 2RBU - 273 C6 H12 N2 [H]/N=C(C1....
50 4A71 - IPH C6 H6 O c1ccc(cc1)....
51 3EXB - EXB GLY ALA ALA NH2 n/a n/a
52 4JQN - HBA C7 H6 O2 c1cc(ccc1C....
53 5U5V Kd = 29.6 uM 7WA C7 H7 N3 c1cc(c2c(c....
54 5U5U Kd = 619 uM NTN C6 H7 N3 c1cnccc1C(....
55 2RC0 - 284 C6 H12 N2 C[C@H]1CCN....
56 4JPU - BEN C7 H8 N2 [H]/N=C(c1....
57 1AC8 - TMZ C6 H10 N S Cc1c(sc[n+....
58 1AEQ - 2EZ C5 H8 N2 CCc1[nH]cc....
59 2RBT - 271 C8 H11 N CNCc1ccccc....
60 2ANZ Kd = 0.06 mM 26D C5 H7 N3 c1cc(nc(c1....
61 1AEF - 3AP C5 H7 N2 c1cc(c[nH+....
62 5U60 - 7VS C9 H9 N3 c1ccc2c(c1....
63 4XV4 Kd = 68 mM 25T C4 H7 N2 S Cc1c[nH+]c....
64 1AEM - MPI C7 H7 N2 c1cc[n+]2c....
65 4JPT - Q24 C8 H8 N4 c1ccc2c(c1....
66 2RBX - 3AY C4 H7 N5 c1c(nc(nc1....
67 4JM8 - 26D C5 H7 N3 c1cc(nc(c1....
68 4JMW - IPH C6 H6 O c1ccc(cc1)....
69 2RBW - 275 C7 H11 N2 Cc1ccc(c[n....
70 2RC2 - 286 C8 H10 N C[n+]1cccc....
71 1AEN - 25T C4 H7 N2 S Cc1c[nH+]c....
72 2V2E - ISZ C6 H5 N3 O [H]/N=N/C(....
73 5U5W Kd = 154 uM 7W1 C10 H10 N2 Cc1cnc2ccc....
74 4JM5 - 25T C4 H7 N2 S Cc1c[nH+]c....
75 2EUO - LG5 C6 H10 N2 CN1CC=CC(=....
76 1AEG - 4AP C5 H7 N2 c1c[nH+]cc....
77 2AQD - DA1 C5 H7 N3 c1cc(ncc1N....
78 1AC4 - TMT C6 H10 N S Cc1csc([n+....
79 2EUR - PY7 C6 H7 N O c1cnccc1CO
50% Homology Family (80)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4JPL - 4JP C7 H6 N2 c1cc2c(cc[....
2 2EUS - ABN C7 H9 N c1ccc(cc1)....
3 2RBV - 278 C6 H10 N2 Cn1cccc1CN
4 2EUU - BVG C4 H6 N2 O c1cnc([nH]....
5 1AEH - 24T C4 H6 N2 S Cc1csc(n1)....
6 5U5X Kd = 1.3 uM TP5 C5 H6 N2 S [H]/N=C(c1....
7 4JM6 - LG3 C4 H6 N4 c1cnc(nc1N....
8 4JQM - 1LQ C8 H7 N3 c1ccc2c(c1....
9 5UG2 Kd ~ 712 uM 86J C8 H8 F N3 Cc1c(n2cc(....
10 2RBZ - 282 C6 H7 N O COc1cccnc1
11 2RC1 - 285 C6 H13 N O CC1[C@H](O....
12 1AEU - 2MZ C4 H6 N2 Cc1[nH]ccn....
13 1AED - DTI C5 H8 N S Cc1csc[n+]....
14 4JMZ Kd = 288 uM 1M2 C8 H9 N3 CNc1[nH]c2....
15 2AS4 Kd = 7.7 mM 3FA C6 H5 F O2 c1cc(c(c(c....
16 4JM9 - LG5 C6 H10 N2 CN1CC=CC(=....
17 1AEK - IDM C8 H9 N c1ccc2c(c1....
18 5U5Y Kd = 522 uM 7W4 C8 H9 N3 Cc1c(n2ccc....
19 1AEV - AMT C3 H4 N2 S c1csc(n1)N
20 4A78 - JZ3 C7 H8 O2 COc1ccccc1....
21 1CMP Kd = 0.027 mM DMI C5 H9 N2 Cc1[nH+]cc....
22 2AS6 - 1CB C5 H11 N C1CCC(C1)N
23 5U61 Kd = 0.04 uM 7WG C6 H9 N3 c1c([nH]c(....
24 2EUP Kd = 0.04 mM LG4 C6 H8 N2 Cc1ccc(nc1....
25 2RBY - 280 C5 H6 N2 O Cn1cncc1C=....
26 4XV5 - BZI C7 H6 N2 c1ccc2c(c1....
27 1CCI - DMI C5 H9 N2 Cc1[nH+]cc....
28 1RYC - BZI C7 H6 N2 c1ccc2c(c1....
29 5U5Z Kd = 3472 uM 7VP C10 H10 N2 Cc1c[nH]c(....
30 2AS3 Kd = 4.1 mM IPH C6 H6 O c1ccc(cc1)....
31 4XV8 - BEN C7 H8 N2 [H]/N=C(c1....
32 1KXM Kd = 0.14 mM BZI C7 H6 N2 c1ccc2c(c1....
33 2EUN Kd = 0.05 mM LG3 C4 H6 N4 c1cnc(nc1N....
34 4XV7 - 1LQ C8 H7 N3 c1ccc2c(c1....
35 4JQK - 1LN C7 H11 N2 O C1=CC=[N](....
36 2AS2 - 2IM C5 H10 N2 C1CCNC(=N)....
37 2EUQ Kd = 0.05 mM BVC C5 H7 N S c1cscc1CN
38 4A6Z - JZ3 C7 H8 O2 COc1ccccc1....
39 1AEB - 3MT C4 H6 N S C[n+]1ccsc....
40 4JQJ - 1LM C9 H8 N2 c1ccc2c(c1....
41 4JMA - 3FA C6 H5 F O2 c1cc(c(c(c....
42 1AET - 1MZ C4 H7 N2 Cn1cc[nH+]....
43 2X08 - ASC C6 H8 O6 C([C@@H]([....
44 2AS1 Kd = 0.02 mM TP5 C5 H6 N2 S [H]/N=C(c1....
45 1AEJ - NVI C5 H7 N2 C=C[n+]1cc....
46 2Y5A Kd = 0.055 mM 3AP C5 H7 N2 c1cc(c[nH+....
47 1AEO - 2AP C5 H7 N2 c1cc[nH+]c....
48 2EUT - BVF C6 H8 N2 Cc1ccnc(c1....
49 2RBU - 273 C6 H12 N2 [H]/N=C(C1....
50 4A71 - IPH C6 H6 O c1ccc(cc1)....
51 3EXB - EXB GLY ALA ALA NH2 n/a n/a
52 4JQN - HBA C7 H6 O2 c1cc(ccc1C....
53 5U5V Kd = 29.6 uM 7WA C7 H7 N3 c1cc(c2c(c....
54 5U5U Kd = 619 uM NTN C6 H7 N3 c1cnccc1C(....
55 2RC0 - 284 C6 H12 N2 C[C@H]1CCN....
56 4JPU - BEN C7 H8 N2 [H]/N=C(c1....
57 1AC8 - TMZ C6 H10 N S Cc1c(sc[n+....
58 1AEQ - 2EZ C5 H8 N2 CCc1[nH]cc....
59 2RBT - 271 C8 H11 N CNCc1ccccc....
60 2ANZ Kd = 0.06 mM 26D C5 H7 N3 c1cc(nc(c1....
61 1AEF - 3AP C5 H7 N2 c1cc(c[nH+....
62 5U60 - 7VS C9 H9 N3 c1ccc2c(c1....
63 4XV4 Kd = 68 mM 25T C4 H7 N2 S Cc1c[nH+]c....
64 1AEM - MPI C7 H7 N2 c1cc[n+]2c....
65 4JPT - Q24 C8 H8 N4 c1ccc2c(c1....
66 2RBX - 3AY C4 H7 N5 c1c(nc(nc1....
67 4JM8 - 26D C5 H7 N3 c1cc(nc(c1....
68 4JMW - IPH C6 H6 O c1ccc(cc1)....
69 2RBW - 275 C7 H11 N2 Cc1ccc(c[n....
70 2RC2 - 286 C8 H10 N C[n+]1cccc....
71 1AEN - 25T C4 H7 N2 S Cc1c[nH+]c....
72 2V2E - ISZ C6 H5 N3 O [H]/N=N/C(....
73 5U5W Kd = 154 uM 7W1 C10 H10 N2 Cc1cnc2ccc....
74 4JM5 - 25T C4 H7 N2 S Cc1c[nH+]c....
75 2EUO - LG5 C6 H10 N2 CN1CC=CC(=....
76 1AEG - 4AP C5 H7 N2 c1c[nH+]cc....
77 2AQD - DA1 C5 H7 N3 c1cc(ncc1N....
78 1AC4 - TMT C6 H10 N S Cc1csc([n+....
79 2EUR - PY7 C6 H7 N O c1cnccc1CO
80 2VCF - ISZ C6 H5 N3 O [H]/N=N/C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MPI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MPI 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: MPI; Similar ligands found: 1002
No: Ligand Similarity coefficient
1 BZI 1.0000
2 0R1 1.0000
3 LZ1 1.0000
4 4JP 1.0000
5 BZF 1.0000
6 IND 1.0000
7 GVH 1.0000
8 0CT 1.0000
9 DEN 1.0000
10 1PT 0.9944
11 BEZ 0.9899
12 BEN 0.9893
13 IDM 0.9880
14 BAM 0.9877
15 YCP 0.9869
16 JZ9 0.9860
17 6PC 0.9839
18 RSF 0.9823
19 J1Z 0.9818
20 QUZ 0.9813
21 NCA 0.9812
22 NPY 0.9802
23 NBZ 0.9781
24 270 0.9779
25 NIO 0.9779
26 ADE 0.9762
27 NTN 0.9758
28 HPA 0.9745
29 AX7 0.9745
30 9DA 0.9729
31 F05 0.9723
32 9EW 0.9717
33 HLR 0.9713
34 10L 0.9712
35 3ZQ 0.9705
36 VGL 0.9704
37 6MP 0.9699
38 PRO 0.9699
39 0RW 0.9697
40 7WA 0.9695
41 FOA 0.9693
42 9HX 0.9692
43 URF 0.9692
44 0TR 0.9691
45 BZX 0.9691
46 XYP 0.9688
47 7HP 0.9687
48 5H1 0.9685
49 PZA 0.9681
50 2CK 0.9680
51 282 0.9677
52 PM6 0.9675
53 BP1 0.9674
54 2K4 0.9671
55 14O 0.9665
56 6AI 0.9660
57 TP5 0.9659
58 UNU 0.9658
59 WBU 0.9656
60 P92 0.9652
61 ES4 0.9650
62 PYC 0.9646
63 BE7 0.9641
64 SAL 0.9639
65 2MI 0.9637
66 5MB 0.9636
67 TDR 0.9635
68 LXC 0.9635
69 6M9 0.9633
70 XM0 0.9633
71 5MI 0.9632
72 AHR 0.9632
73 F60 0.9626
74 NK 0.9625
75 SVN 0.9625
76 OXQ 0.9624
77 FPI 0.9620
78 GBD 0.9618
79 ES9 0.9613
80 4JU 0.9611
81 JBE 0.9608
82 SWD 0.9604
83 2PC 0.9600
84 6M4 0.9597
85 MCT 0.9596
86 11S 0.9592
87 4HO 0.9592
88 1MC 0.9590
89 CAQ 0.9587
90 ABV 0.9583
91 SS1 0.9581
92 265 0.9574
93 H4N 0.9574
94 MWM 0.9573
95 PLQ 0.9572
96 FK1 0.9568
97 C21 0.9565
98 HBX 0.9564
99 SYN 0.9563
100 BE2 0.9559
101 GAG 0.9558
102 ECE 0.9558
103 BTE 0.9557
104 HY3 0.9546
105 8NY 0.9545
106 AC0 0.9544
107 273 0.9543
108 HQE 0.9542
109 AMC 0.9542
110 LG4 0.9540
111 4ZE 0.9536
112 PY7 0.9536
113 4SV 0.9534
114 QSC 0.9530
115 XBZ 0.9530
116 5AC 0.9529
117 PBC 0.9529
118 40O 0.9529
119 JBN 0.9527
120 OXE 0.9527
121 PCR 0.9526
122 TH0 0.9526
123 3U4 0.9524
124 NPO 0.9522
125 PYD 0.9521
126 ICP 0.9521
127 TZC 0.9521
128 2MH 0.9517
129 7CZ 0.9514
130 5UC 0.9511
131 FPN 0.9509
132 DA1 0.9505
133 ES6 0.9495
134 JAE 0.9492
135 275 0.9491
136 ABN 0.9490
137 FPY 0.9487
138 24W 0.9486
139 1DU 0.9483
140 MAK 0.9481
141 1SQ 0.9479
142 ISN 0.9478
143 A1U 0.9477
144 L89 0.9477
145 25R 0.9476
146 5Q0 0.9474
147 HQY 0.9472
148 PXY 0.9472
149 5WV 0.9471
150 NMJ 0.9471
151 2AC 0.9469
152 PYF 0.9465
153 N5J 0.9465
154 NBE 0.9464
155 V1L 0.9464
156 2MP 0.9461
157 ES1 0.9459
158 1LQ 0.9457
159 67N 0.9457
160 5IQ 0.9457
161 BHO 0.9457
162 5SG 0.9456
163 M1A 0.9455
164 URA 0.9455
165 5MH 0.9453
166 Q88 0.9453
167 3ID 0.9452
168 CYH 0.9452
169 34A 0.9451
170 M58 0.9450
171 150 0.9450
172 8GC 0.9448
173 60P 0.9447
174 1WG 0.9447
175 XYD 0.9446
176 1NP 0.9446
177 1WD 0.9443
178 KKN 0.9442
179 2YU 0.9441
180 XYS 0.9441
181 7W4 0.9440
182 OAA 0.9440
183 ADZ 0.9434
184 4YS 0.9432
185 LG3 0.9431
186 DUC 0.9430
187 CYT 0.9429
188 8LG 0.9427
189 ES7 0.9424
190 92Z 0.9424
191 JPZ 0.9423
192 RCO 0.9423
193 L3Q 0.9423
194 3CH 0.9422
195 CXL 0.9419
196 KIV 0.9418
197 HH8 0.9417
198 EQT 0.9417
199 1AN 0.9417
200 PHB 0.9416
201 MZG 0.9415
202 BEW 0.9414
203 4XH 0.9407
204 O72 0.9404
205 ES0 0.9401
206 RSO 0.9398
207 2CQ 0.9396
208 DMD 0.9395
209 JKE 0.9395
210 FP2 0.9393
211 9DG 0.9391
212 1MR 0.9390
213 TFB 0.9390
214 TM7 0.9389
215 CRS 0.9387
216 JAB 0.9386
217 4XR 0.9386
218 JZ3 0.9385
219 AZA 0.9385
220 4CL 0.9383
221 2AF 0.9382
222 GUN 0.9380
223 CWM 0.9379
224 4JJ 0.9379
225 ARB 0.9378
226 HAI 0.9378
227 IPH 0.9376
228 JZ5 0.9376
229 26D 0.9375
230 76X 0.9372
231 4CH 0.9371
232 7WV 0.9370
233 JZ0 0.9370
234 IT2 0.9370
235 93Q 0.9368
236 SMV 0.9368
237 43M 0.9367
238 JBH 0.9367
239 2CH 0.9367
240 HT4 0.9366
241 TH7 0.9366
242 25W 0.9366
243 HMH 0.9365
244 Z82 0.9363
245 3NT 0.9361
246 A2F 0.9360
247 1DW 0.9359
248 JZ2 0.9357
249 XQ0 0.9356
250 1LM 0.9355
251 PYG 0.9354
252 MLA 0.9354
253 7B4 0.9353
254 QWN 0.9352
255 XAN 0.9352
256 BML 0.9351
257 6AP 0.9349
258 ICC 0.9349
259 COU 0.9348
260 5JC 0.9347
261 APY 0.9345
262 2IM 0.9344
263 280 0.9343
264 4HS 0.9342
265 RIP 0.9342
266 9PO 0.9341
267 284 0.9340
268 A2Q 0.9339
269 FUL 0.9339
270 HBA 0.9338
271 3AB 0.9338
272 1P7 0.9335
273 IGA 0.9334
274 23A 0.9333
275 2AP 0.9333
276 MBN 0.9333
277 MBD 0.9333
278 H42 0.9332
279 5B1 0.9330
280 3AP 0.9330
281 HRZ 0.9329
282 3MC 0.9328
283 4CS 0.9327
284 938 0.9326
285 LG5 0.9326
286 CFP 0.9324
287 DX4 0.9324
288 BR9 0.9323
289 0MK 0.9323
290 2AQ 0.9321
291 HH5 0.9321
292 5HN 0.9321
293 IDH 0.9320
294 MWJ 0.9319
295 QOS 0.9318
296 QXW 0.9316
297 03V 0.9316
298 JB5 0.9315
299 6GU 0.9314
300 HPY 0.9312
301 27Y 0.9311
302 4AP 0.9311
303 4FS 0.9311
304 WOT 0.9310
305 GAB 0.9309
306 2ZV 0.9309
307 BVF 0.9308
308 1XM 0.9306
309 FYU 0.9305
310 HTS 0.9305
311 1Y6 0.9305
312 DMG 0.9305
313 G6D 0.9302
314 141 0.9301
315 3F0 0.9301
316 HBD 0.9299
317 GIO 0.9299
318 4JO 0.9298
319 HVK 0.9297
320 1XN 0.9296
321 7EX 0.9295
322 ET2 0.9294
323 ES5 0.9291
324 MZ0 0.9291
325 PAB 0.9290
326 AZG 0.9289
327 PRS 0.9286
328 FFP 0.9285
329 6F0 0.9285
330 YH7 0.9284
331 290 0.9282
332 KYD 0.9282
333 IUR 0.9281
334 8GF 0.9281
335 4JN 0.9281
336 FLM 0.9278
337 FAN 0.9274
338 VAL 0.9274
339 VGD 0.9273
340 FUC 0.9273
341 36R 0.9271
342 0R0 0.9270
343 VNJ 0.9270
344 BOA 0.9269
345 285 0.9269
346 5RG 0.9267
347 LGA 0.9266
348 3FA 0.9266
349 45C 0.9266
350 3M0 0.9266
351 BCP 0.9264
352 1DQ 0.9264
353 3HB 0.9262
354 5VM 0.9259
355 53C 0.9259
356 CLW 0.9258
357 3SK 0.9258
358 0CU 0.9255
359 JIF 0.9254
360 GRE 0.9252
361 OCH 0.9248
362 OVV 0.9247
363 MAE 0.9246
364 4XX 0.9245
365 WCE 0.9242
366 1P8 0.9240
367 R8A 0.9238
368 LMR 0.9236
369 PCA 0.9236
370 GXE 0.9234
371 MLI 0.9234
372 MLT 0.9233
373 3OC 0.9232
374 2D0 0.9230
375 GMN 0.9230
376 H3M 0.9230
377 DBH 0.9228
378 ADK 0.9227
379 BGC 0.9226
380 2C9 0.9225
381 FLA 0.9224
382 GLC 0.9224
383 L60 0.9220
384 3BZ 0.9220
385 64K 0.9219
386 C5J 0.9218
387 5NU 0.9217
388 F4Z 0.9216
389 FE DB1 0.9214
390 KOJ 0.9213
391 HHA 0.9212
392 6M1 0.9212
393 14J 0.9208
394 3HA 0.9207
395 ISZ 0.9205
396 HGQ 0.9205
397 MRZ 0.9201
398 YAN 0.9199
399 NIZ 0.9198
400 7HQ 0.9197
401 PBZ 0.9189
402 23W 0.9189
403 BRT 0.9188
404 4VP 0.9188
405 TMZ 0.9187
406 PYJ 0.9186
407 2CM 0.9184
408 9TY 0.9184
409 2KT 0.9181
410 TC7 0.9180
411 6X8 0.9180
412 9CL 0.9179
413 174 0.9177
414 8H8 0.9176
415 F5B 0.9175
416 CEJ 0.9175
417 IOL 0.9174
418 CIG 0.9173
419 B24 0.9173
420 DFU 0.9173
421 173 0.9173
422 ES2 0.9170
423 826 0.9167
424 TTL 0.9161
425 KJH 0.9160
426 2MY 0.9160
427 UY7 0.9160
428 3PF 0.9159
429 DHB 0.9158
430 5CU 0.9153
431 I3A 0.9151
432 4NC 0.9149
433 54D 0.9148
434 HYN 0.9147
435 P72 0.9145
436 4MA 0.9142
437 NOJ 0.9142
438 SW7 0.9141
439 6MH 0.9140
440 URP 0.9139
441 TLD 0.9138
442 ARA 0.9138
443 286 0.9136
444 8CL 0.9135
445 M3T 0.9135
446 3WA 0.9134
447 AZ8 0.9129
448 1P3 0.9129
449 DPR 0.9127
450 MLM 0.9126
451 TMT 0.9126
452 DUB 0.9126
453 F81 0.9125
454 DFB 0.9124
455 GTQ 0.9120
456 6CS 0.9119
457 FBA 0.9117
458 HEW 0.9117
459 MB3 0.9116
460 5OB 0.9115
461 R8V 0.9114
462 5M0 0.9112
463 3MA 0.9110
464 24B 0.9107
465 7W1 0.9105
466 717 0.9104
467 12Q 0.9103
468 1XX 0.9101
469 BZ3 0.9101
470 P2D 0.9100
471 HIU 0.9100
472 DOB 0.9099
473 JBK 0.9098
474 RIB 0.9098
475 CFI 0.9097
476 BHA 0.9095
477 DTL 0.9095
478 K2T 0.9094
479 RAM 0.9094
480 NVI 0.9092
481 A7W 0.9092
482 4M0 0.9091
483 Y8I 0.9090
484 BVC 0.9090
485 93B 0.9090
486 ABE 0.9090
487 PXL 0.9090
488 FA0 0.9089
489 FBB 0.9089
490 GYE 0.9089
491 JBQ 0.9088
492 FB2 0.9088
493 JA8 0.9085
494 UGC 0.9084
495 4H2 0.9084
496 H8N 0.9083
497 3CE 0.9083
498 XXR 0.9082
499 B3R 0.9081
500 MMZ 0.9081
501 YHO 0.9079
502 BTY 0.9078
503 ASP 0.9078
504 G3F 0.9078
505 G3E 0.9076
506 FQI 0.9074
507 54G 0.9074
508 3MH 0.9074
509 NSP 0.9074
510 5QX 0.9073
511 TM4 0.9072
512 3PY 0.9072
513 XQG 0.9071
514 ZZT 0.9071
515 F9P 0.9069
516 24T 0.9067
517 XBT 0.9066
518 OK7 0.9065
519 4JL 0.9065
520 SS2 0.9064
521 4JT 0.9063
522 YTB 0.9061
523 7MH 0.9060
524 JZ1 0.9058
525 TTO 0.9057
526 AC6 0.9056
527 JFD 0.9055
528 2HQ 0.9055
529 AZF 0.9055
530 9MG 0.9054
531 EA1 0.9052
532 0P6 0.9051
533 FDB 0.9051
534 IFM 0.9050
535 SRT 0.9050
536 URC 0.9049
537 XIY 0.9049
538 URQ 0.9049
539 KG7 0.9048
540 ALO 0.9048
541 HHN 0.9048
542 3XX 0.9048
543 LDU 0.9048
544 HMU 0.9047
545 HYP 0.9047
546 XIX 0.9046
547 HQT 0.9046
548 HSE 0.9046
549 THR 0.9042
550 32X 0.9041
551 PZI 0.9041
552 HZQ 0.9039
553 SER 0.9039
554 MR1 0.9038
555 TLA 0.9038
556 HHQ 0.9037
557 5QY 0.9036
558 P9P 0.9035
559 RHU 0.9032
560 FCA 0.9030
561 CIZ 0.9030
562 CTL 0.9029
563 MT0 0.9027
564 6UA 0.9026
565 FBM 0.9024
566 SWA 0.9024
567 LT2 0.9022
568 DYA 0.9022
569 GLL 0.9020
570 PE0 0.9019
571 CWS 0.9018
572 Q24 0.9016
573 B55 0.9016
574 HVQ 0.9015
575 SEJ 0.9014
576 1M2 0.9013
577 MEW 0.9013
578 5MK 0.9011
579 OXZ 0.9011
580 T6C 0.9010
581 C2B 0.9010
582 LZM 0.9008
583 1DV 0.9008
584 25T 0.9006
585 RM1 0.9005
586 SOE 0.9005
587 XX2 0.9004
588 MYJ 0.9001
589 BVG 0.9000
590 KUF 0.9000
591 86J 0.8999
592 B53 0.8998
593 51R 0.8998
594 39A 0.8997
595 9TZ 0.8997
596 G2F 0.8997
597 2DR 0.8997
598 KSW 0.8996
599 MRW 0.8994
600 JZ7 0.8994
601 5JQ 0.8994
602 E60 0.8993
603 PAF 0.8993
604 495 0.8990
605 SX1 0.8990
606 5JL 0.8990
607 NEQ 0.8990
608 3Z7 0.8990
609 BNS 0.8987
610 WDL 0.8986
611 DXX 0.8985
612 DGY 0.8984
613 FBV 0.8983
614 OXC 0.8983
615 4HC 0.8983
616 TPA 0.8983
617 3AY 0.8982
618 ITN 0.8982
619 AX2 0.8981
620 D48 0.8981
621 HIS 0.8981
622 DHQ 0.8980
623 4ZC 0.8979
624 8TX 0.8979
625 75K 0.8978
626 DIN 0.8975
627 MZW 0.8974
628 PBE 0.8973
629 8IG 0.8973
630 DSN 0.8973
631 INO 0.8972
632 M5K 0.8971
633 DTI 0.8970
634 PMB 0.8969
635 3RK 0.8969
636 KPL 0.8968
637 JLZ 0.8967
638 RM4 0.8967
639 FEH 0.8966
640 3Z8 0.8965
641 0JD 0.8963
642 ZBT 0.8961
643 AAE 0.8960
644 TAR 0.8960
645 42A 0.8959
646 EXO 0.8958
647 FHB 0.8957
648 5XC 0.8957
649 7WG 0.8956
650 NNO 0.8955
651 5WX 0.8952
652 6HQ 0.8951
653 FUF 0.8951
654 OHG 0.8951
655 8CM 0.8950
656 2HO 0.8950
657 3HM 0.8949
658 GCS 0.8948
659 8S0 0.8948
660 I1E 0.8945
661 SYV 0.8945
662 82I 0.8945
663 FP1 0.8945
664 261 0.8945
665 HZP 0.8944
666 K34 0.8944
667 QWW 0.8944
668 SE2 0.8942
669 PEA 0.8942
670 13X 0.8940
671 C2A 0.8940
672 RNS 0.8940
673 BR8 0.8939
674 CRN 0.8939
675 AQO 0.8938
676 HIO 0.8937
677 PIH 0.8937
678 1DH 0.8936
679 BP9 0.8933
680 B57 0.8931
681 ORO 0.8931
682 5AN 0.8930
683 4JM 0.8929
684 CYS 0.8929
685 4A3 0.8928
686 2A7 0.8923
687 HY1 0.8922
688 93K 0.8922
689 PKU 0.8922
690 0W8 0.8922
691 IP0 0.8920
692 J5I 0.8919
693 SKA 0.8919
694 HSM 0.8919
695 HGW 0.8918
696 IFL 0.8916
697 ASO 0.8915
698 EKZ 0.8915
699 QSB 0.8915
700 4PW 0.8915
701 IQ0 0.8914
702 F9Y 0.8912
703 ISE 0.8908
704 278 0.8907
705 CXF 0.8907
706 GLA 0.8907
707 3SL 0.8905
708 HX3 0.8904
709 QX2 0.8903
710 FCR 0.8902
711 AJ2 0.8901
712 R2B 0.8900
713 5ZE 0.8898
714 5RN 0.8897
715 9TW 0.8896
716 FB1 0.8895
717 S76 0.8895
718 4P5 0.8894
719 O7U 0.8893
720 BSX 0.8889
721 KT7 0.8889
722 6RQ 0.8888
723 GAL 0.8887
724 DOR 0.8886
725 AGK 0.8885
726 FPK 0.8885
727 DMI 0.8884
728 UNC 0.8884
729 CHB 0.8883
730 2EC 0.8880
731 IV2 0.8879
732 TEO 0.8878
733 MXN 0.8876
734 FCB 0.8875
735 XAZ 0.8874
736 G5V 0.8873
737 M6N 0.8870
738 INS 0.8870
739 EDG 0.8869
740 FUM 0.8866
741 SIN 0.8866
742 69O 0.8866
743 9X7 0.8866
744 PHU 0.8865
745 DAB 0.8862
746 TBP 0.8862
747 XUL 0.8862
748 LSA 0.8862
749 7NI 0.8862
750 7MU 0.8861
751 TIU 0.8861
752 GIF 0.8860
753 LCN 0.8859
754 2BG 0.8858
755 T2C 0.8858
756 GOO 0.8856
757 AZ9 0.8856
758 4AA 0.8855
759 ASN 0.8855
760 DBX 0.8855
761 PEL 0.8854
762 PAC 0.8854
763 1AB 0.8852
764 D1X 0.8851
765 R8S 0.8850
766 R1X 0.8848
767 P3K 0.8846
768 M2H 0.8846
769 RMN 0.8845
770 DGJ 0.8844
771 3FH 0.8844
772 RUU 0.8843
773 7N0 0.8840
774 ABA 0.8838
775 IHB 0.8837
776 2ZX 0.8835
777 AW5 0.8833
778 PAE 0.8833
779 KJU 0.8832
780 HSL 0.8832
781 4AX 0.8830
782 4YO 0.8829
783 MAN 0.8829
784 35C 0.8828
785 8WT 0.8827
786 HX2 0.8826
787 34D 0.8824
788 98J 0.8823
789 NOY 0.8821
790 G4D 0.8821
791 2H5 0.8821
792 SHA 0.8819
793 MQN 0.8817
794 PEP 0.8817
795 RP7 0.8816
796 QBK 0.8816
797 TEP 0.8815
798 DIU 0.8815
799 HCS 0.8815
800 J9W 0.8813
801 HJP 0.8813
802 DHK 0.8813
803 TSU 0.8811
804 0TU 0.8810
805 M4T 0.8808
806 FOT 0.8806
807 AAS 0.8805
808 51F 0.8802
809 M1Q 0.8802
810 47J 0.8800
811 4HM 0.8800
812 S0H 0.8800
813 M1E 0.8798
814 HLZ 0.8797
815 Z6J 0.8796
816 MUA 0.8795
817 94N 0.8794
818 IMR 0.8789
819 E7Z 0.8788
820 M0W 0.8788
821 FBT 0.8787
822 7VS 0.8786
823 4JQ 0.8786
824 1LN 0.8785
825 3IT 0.8784
826 MWP 0.8782
827 MFB 0.8780
828 ERH 0.8780
829 2AL 0.8780
830 40E 0.8779
831 5GU 0.8777
832 4FA 0.8776
833 8OZ 0.8772
834 CEE 0.8771
835 IPB 0.8770
836 3DM 0.8770
837 Q6T 0.8767
838 MNM 0.8766
839 CP 0.8764
840 NDH 0.8763
841 VNL 0.8763
842 149 0.8763
843 92K 0.8761
844 CTS 0.8761
845 F0J 0.8760
846 RB5 0.8760
847 C2U 0.8758
848 IF7 0.8758
849 2LP 0.8758
850 FBW 0.8756
851 42C 0.8752
852 SAN 0.8751
853 HFB 0.8750
854 2XX 0.8747
855 1DJ 0.8747
856 MRY 0.8746
857 EYK 0.8746
858 YSO 0.8745
859 WOO 0.8745
860 FBJ 0.8742
861 XCZ 0.8738
862 271 0.8736
863 IFP 0.8735
864 8ZE 0.8734
865 IJZ 0.8732
866 GAF 0.8731
867 2FG 0.8731
868 PA1 0.8731
869 3DO 0.8730
870 DIE 0.8730
871 BMA 0.8730
872 ICF 0.8728
873 GDE 0.8728
874 OXL 0.8727
875 X6X 0.8724
876 XRG 0.8721
877 MNN 0.8721
878 BAQ 0.8719
879 3MT 0.8715
880 KJY 0.8712
881 LER 0.8712
882 NXA 0.8712
883 E5X 0.8707
884 BDP 0.8702
885 260 0.8700
886 M0Q 0.8699
887 DRL 0.8699
888 K5W 0.8697
889 LGC 0.8693
890 HQD 0.8692
891 37T 0.8692
892 AKH 0.8686
893 BAE 0.8686
894 MO8 0.8684
895 GLU 0.8684
896 AFR 0.8681
897 2A9 0.8681
898 FA1 0.8681
899 ALL 0.8680
900 IVA 0.8679
901 DBJ 0.8675
902 1AC 0.8675
903 4Z4 0.8674
904 EUG 0.8670
905 3V4 0.8668
906 SJ5 0.8666
907 FUB 0.8665
908 PYQ 0.8664
909 DHR 0.8663
910 DQN 0.8661
911 DMJ 0.8660
912 192 0.8660
913 H76 0.8660
914 KBG 0.8659
915 COI 0.8658
916 B60 0.8656
917 JUG 0.8656
918 V55 0.8655
919 OXD 0.8652
920 X0V 0.8652
921 NTM 0.8651
922 PBA 0.8651
923 BEA 0.8649
924 259 0.8647
925 4M4 0.8647
926 OVM 0.8644
927 HDA 0.8642
928 BDF 0.8642
929 XHP 0.8641
930 A13 0.8641
931 YRL 0.8639
932 0N7 0.8638
933 ACH 0.8638
934 NDM 0.8634
935 329 0.8634
936 TZE 0.8633
937 4NM 0.8633
938 AEF 0.8632
939 JXN 0.8632
940 BCF 0.8631
941 GXL 0.8630
942 4WL 0.8629
943 SPV 0.8628
944 JZ4 0.8628
945 VK3 0.8626
946 QY9 0.8625
947 J9T 0.8624
948 TCZ 0.8624
949 SAT 0.8623
950 NQ 0.8621
951 ICO 0.8621
952 2EZ 0.8620
953 OVP 0.8617
954 M1H 0.8617
955 RPQ 0.8616
956 B62 0.8616
957 2AI 0.8613
958 RXA 0.8609
959 PYM 0.8608
960 G1O 0.8607
961 PHT 0.8604
962 AMT 0.8604
963 N2I 0.8601
964 HOW 0.8599
965 APZ 0.8597
966 X05 0.8597
967 GBL 0.8596
968 ZZ3 0.8595
969 ANN 0.8595
970 F3B 0.8594
971 HDH 0.8593
972 OTW 0.8593
973 K17 0.8593
974 2AK 0.8592
975 CGB 0.8585
976 MAQ 0.8581
977 XLS 0.8580
978 PFB 0.8578
979 CFF 0.8577
980 FGZ 0.8575
981 ATQ 0.8573
982 PZM 0.8573
983 TBS 0.8572
984 LRH 0.8570
985 IBF 0.8570
986 K8X 0.8568
987 BBF 0.8567
988 DHS 0.8565
989 HXX 0.8565
990 AKB 0.8564
991 BCU 0.8560
992 CWJ 0.8559
993 4FH 0.8552
994 2MZ 0.8552
995 7VJ 0.8544
996 SVD 0.8541
997 PRY 0.8538
998 MR3 0.8537
999 4MZ 0.8527
1000 1MZ 0.8521
1001 KDV 0.8515
1002 DQU 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5U61; Ligand: 7WG; 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: 5u61.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
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