Receptor
PDB id Resolution Class Description Source Keywords
1AEQ 2.1 Å EC: 1.11.1.5 VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (2-ETHYLIMIDAZOLE) SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE PEROXIDASE TRANSIT PEPTIDE
Ref.: ARTIFICIAL PROTEIN CAVITIES AS SPECIFIC LIGAND-BINDING TEMPLATES: CHARACTERIZATION OF AN ENGINEERED HETEROCYCLIC CATION-BINDING SITE THAT PRESERVES THE EVOLVED SPECIFICITY 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
2EZ A:296;
 Valid;
 none;
 submit data
96.13 C5 H8 N2 CCc1[...
HEM A:295;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
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: 2EZ; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 2EZ 1 1
2 BVG 0.555556 0.633333
3 2MZ 0.407407 0.809524
Similar Ligands (3D)
Ligand no: 1; Ligand: 2EZ; Similar ligands found: 525
No: Ligand Similarity coefficient
1 MZ0 1.0000
2 NVI 0.9985
3 HVQ 0.9904
4 BVC 0.9854
5 PRI 0.9734
6 HSM 0.9719
7 PYJ 0.9707
8 SYN 0.9699
9 9CL 0.9674
10 ABN 0.9672
11 1DU 0.9628
12 282 0.9624
13 APY 0.9623
14 BUA 0.9622
15 NBE 0.9617
16 B24 0.9602
17 PY7 0.9594
18 JZ5 0.9585
19 HBX 0.9572
20 2KT 0.9568
21 1MR 0.9559
22 278 0.9535
23 JBN 0.9521
24 PRO 0.9504
25 IPH 0.9500
26 3PY 0.9496
27 OHG 0.9479
28 MLI 0.9469
29 EGD 0.9462
30 1CB 0.9460
31 BAQ 0.9460
32 280 0.9453
33 FOA 0.9451
34 9X7 0.9445
35 93B 0.9438
36 SAR 0.9436
37 GBL 0.9436
38 AMC 0.9432
39 BAL 0.9423
40 MLA 0.9422
41 MZY 0.9421
42 2IM 0.9421
43 5KX 0.9420
44 FPI 0.9414
45 4MZ 0.9410
46 2PC 0.9409
47 DPR 0.9409
48 BYZ 0.9407
49 AOA 0.9403
50 ES3 0.9401
51 JZ6 0.9400
52 PYC 0.9391
53 TZC 0.9391
54 1MZ 0.9390
55 MR3 0.9390
56 GOL 0.9389
57 LGA 0.9386
58 ATQ 0.9385
59 JAB 0.9378
60 TFB 0.9377
61 PYZ 0.9370
62 CEJ 0.9363
63 PIH 0.9360
64 5MP 0.9356
65 4AP 0.9354
66 HOW 0.9350
67 3TR 0.9350
68 BU4 0.9345
69 5AC 0.9344
70 MBN 0.9340
71 2AI 0.9340
72 69O 0.9338
73 BP9 0.9335
74 HRZ 0.9332
75 A2Q 0.9331
76 L60 0.9329
77 HCS 0.9329
78 51F 0.9324
79 CXL 0.9324
80 PEL 0.9323
81 6PC 0.9323
82 6SP 0.9321
83 3AP 0.9320
84 MZW 0.9320
85 HHN 0.9317
86 PYF 0.9316
87 A3B 0.9314
88 SMV 0.9311
89 271 0.9310
90 HVK 0.9310
91 2AP 0.9310
92 HY1 0.9309
93 PEA 0.9303
94 GXE 0.9300
95 WOT 0.9291
96 DCY 0.9291
97 3MT 0.9285
98 SER 0.9285
99 7EX 0.9281
100 AAE 0.9279
101 BXO 0.9278
102 CYH 0.9278
103 9YL 0.9273
104 DMG 0.9273
105 CYS 0.9264
106 8CL 0.9261
107 MMZ 0.9261
108 DGY 0.9260
109 9PO 0.9260
110 SS2 0.9260
111 PRS 0.9257
112 3HL 0.9257
113 3OH 0.9252
114 JZ7 0.9252
115 HGW 0.9251
116 CEE 0.9249
117 RSO 0.9248
118 7WG 0.9246
119 ABA 0.9245
120 QSC 0.9244
121 C5J 0.9244
122 XIX 0.9238
123 HIU 0.9236
124 KG7 0.9234
125 3GR 0.9231
126 BAM 0.9230
127 TTO 0.9226
128 V1L 0.9226
129 HAI 0.9221
130 DSN 0.9221
131 AMT 0.9220
132 ITU 0.9207
133 M58 0.9207
134 03W 0.9205
135 BEN 0.9205
136 BMD 0.9203
137 HYN 0.9200
138 OXL 0.9197
139 MTG 0.9194
140 SS1 0.9192
141 ABU 0.9185
142 DXX 0.9183
143 273 0.9180
144 26D 0.9177
145 AC0 0.9176
146 PZA 0.9175
147 C21 0.9172
148 TP5 0.9166
149 H3M 0.9166
150 KIV 0.9165
151 PCA 0.9165
152 25T 0.9164
153 NIO 0.9164
154 HGQ 0.9164
155 FW5 0.9163
156 GAG 0.9161
157 NCA 0.9158
158 T2C 0.9158
159 HSE 0.9154
160 BEZ 0.9153
161 1DH 0.9151
162 1AB 0.9145
163 IQ0 0.9145
164 CRS 0.9145
165 BUQ 0.9143
166 XAP 0.9143
167 URA 0.9142
168 DAB 0.9138
169 CHT 0.9138
170 4CH 0.9137
171 HDA 0.9132
172 SMB 0.9129
173 BML 0.9129
174 SGL 0.9128
175 NVA 0.9128
176 HUI 0.9126
177 R2B 0.9125
178 285 0.9120
179 OXQ 0.9116
180 4AX 0.9114
181 1DQ 0.9113
182 P2D 0.9112
183 YCP 0.9112
184 BUB 0.9109
185 MLM 0.9107
186 HYP 0.9104
187 1SP 0.9103
188 SLP 0.9102
189 E60 0.9100
190 LEA 0.9099
191 HPY 0.9098
192 BNS 0.9097
193 192 0.9096
194 TZE 0.9090
195 LDU 0.9086
196 24T 0.9084
197 THR 0.9080
198 3ZS 0.9077
199 MRY 0.9075
200 PPI 0.9075
201 R3W 0.9075
202 MB3 0.9071
203 GBD 0.9070
204 EDG 0.9070
205 MEU 0.9068
206 KSW 0.9067
207 3HR 0.9065
208 MSF 0.9061
209 4JU 0.9060
210 R1X 0.9059
211 39J 0.9059
212 MRZ 0.9055
213 NTN 0.9055
214 4JL 0.9054
215 FJO 0.9053
216 23W 0.9050
217 IHG 0.9048
218 R8A 0.9045
219 IMR 0.9043
220 SSN 0.9042
221 JZ1 0.9042
222 JZ3 0.9038
223 LER 0.9038
224 ETX 0.9038
225 2HA 0.9037
226 VGL 0.9037
227 2RA 0.9035
228 PBC 0.9033
229 DBB 0.9029
230 A8C 0.9028
231 UNU 0.9027
232 ETM 0.9027
233 C2A 0.9026
234 CP 0.9023
235 NBZ 0.9019
236 DUC 0.9019
237 IVA 0.9019
238 ZBT 0.9019
239 TZL 0.9019
240 IZC 0.9018
241 HQE 0.9016
242 286 0.9013
243 FBA 0.9013
244 PAE 0.9013
245 GLY 0.9013
246 CXF 0.9003
247 HV2 0.9001
248 1AC 0.8999
249 HBA 0.8998
250 HSL 0.8993
251 PCR 0.8990
252 C2B 0.8988
253 OXM 0.8988
254 PYR 0.8981
255 PUT 0.8981
256 4HA 0.8977
257 IT2 0.8977
258 BXA 0.8977
259 MAK 0.8976
260 ISU 0.8976
261 MMU 0.8970
262 54D 0.8968
263 C2N 0.8968
264 PLQ 0.8967
265 LAC 0.8967
266 GXV 0.8965
267 LG4 0.8964
268 UY7 0.8964
269 4VP 0.8964
270 2MH 0.8962
271 60P 0.8962
272 J1Z 0.8961
273 DMI 0.8960
274 40E 0.8959
275 FBJ 0.8958
276 DE2 0.8952
277 FAH 0.8951
278 COI 0.8950
279 AKB 0.8950
280 25R 0.8949
281 VAL 0.8945
282 BTL 0.8944
283 NK 0.8944
284 AKR 0.8942
285 GLV 0.8941
286 URF 0.8941
287 2HE 0.8938
288 PE9 0.8937
289 OXD 0.8936
290 SPA 0.8936
291 DTL 0.8935
292 HZP 0.8934
293 CSS 0.8934
294 14J 0.8932
295 FPN 0.8930
296 265 0.8930
297 OAA 0.8929
298 IDH 0.8929
299 NIE 0.8927
300 PXO 0.8926
301 PXY 0.8926
302 DA1 0.8920
303 HY3 0.8920
304 RP7 0.8919
305 MAE 0.8917
306 1LN 0.8916
307 CRN 0.8912
308 SIN 0.8910
309 GOA 0.8907
310 M6W 0.8902
311 IDM 0.8902
312 THE 0.8900
313 LG3 0.8900
314 NEQ 0.8898
315 WBU 0.8896
316 0R0 0.8896
317 RCO 0.8894
318 BVF 0.8894
319 3BB 0.8894
320 HVB 0.8893
321 4XX 0.8891
322 8X3 0.8889
323 284 0.8888
324 8GF 0.8885
325 FUM 0.8883
326 4JN 0.8882
327 CYT 0.8880
328 ICC 0.8879
329 D2P 0.8870
330 DCL 0.8867
331 ECE 0.8865
332 LG5 0.8863
333 NMG 0.8863
334 IPU 0.8854
335 ALA 0.8852
336 HAE 0.8852
337 RSF 0.8852
338 TMZ 0.8846
339 3CL 0.8845
340 NAK 0.8843
341 4HS 0.8841
342 NCM 0.8841
343 9SB 0.8840
344 BAE 0.8839
345 CIG 0.8837
346 3CH 0.8835
347 COM 0.8833
348 MLT 0.8832
349 2OP 0.8832
350 BEW 0.8831
351 ETF 0.8829
352 ALO 0.8826
353 TAU 0.8826
354 AC5 0.8825
355 CIZ 0.8825
356 40O 0.8817
357 F50 0.8817
358 ASN 0.8812
359 DAL 0.8810
360 LMR 0.8808
361 MTD 0.8805
362 FQI 0.8805
363 1DJ 0.8804
364 S0H 0.8800
365 FEH 0.8798
366 TMT 0.8796
367 9A4 0.8795
368 4H2 0.8788
369 2DR 0.8785
370 ILE 0.8785
371 VAH 0.8782
372 M3T 0.8782
373 EFS 0.8782
374 DTI 0.8780
375 B3R 0.8780
376 PBE 0.8779
377 IOM 0.8778
378 1PT 0.8775
379 BSX 0.8775
380 HEW 0.8774
381 F3V 0.8774
382 261 0.8772
383 IOL 0.8770
384 ALQ 0.8767
385 ASP 0.8764
386 HGY 0.8764
387 2A1 0.8761
388 DEN 0.8759
389 RIB 0.8759
390 ORN 0.8757
391 4MV 0.8757
392 NMU 0.8757
393 MXN 0.8756
394 FPY 0.8756
395 I1E 0.8756
396 IP0 0.8754
397 938 0.8752
398 DTU 0.8752
399 AHR 0.8751
400 JZ4 0.8750
401 LEU 0.8745
402 FAN 0.8744
403 BUO 0.8743
404 ISZ 0.8742
405 NHY 0.8740
406 BHO 0.8739
407 MNN 0.8738
408 UYA 0.8737
409 HBR 0.8735
410 HBS 0.8735
411 CRD 0.8732
412 OPE 0.8730
413 1DV 0.8729
414 DAS 0.8728
415 SAT 0.8727
416 XPO 0.8726
417 QY9 0.8723
418 MGX 0.8720
419 FUB 0.8719
420 KMT 0.8718
421 FLA 0.8718
422 DTT 0.8717
423 TEO 0.8716
424 ITN 0.8716
425 3SK 0.8713
426 NMJ 0.8712
427 BE7 0.8704
428 GVH 0.8703
429 UGC 0.8700
430 IFM 0.8699
431 HHQ 0.8697
432 KOJ 0.8696
433 3ZQ 0.8694
434 TLA 0.8693
435 Z6J 0.8693
436 3U4 0.8690
437 AGU 0.8690
438 1BP 0.8689
439 6X8 0.8688
440 2XX 0.8687
441 0R1 0.8686
442 LZ1 0.8685
443 CMS 0.8684
444 4HO 0.8684
445 7N0 0.8683
446 RUU 0.8681
447 2CH 0.8680
448 1MC 0.8680
449 PZI 0.8678
450 1WD 0.8674
451 MPD 0.8673
452 N4B 0.8672
453 93Q 0.8671
454 BZI 0.8670
455 SNE 0.8666
456 CAQ 0.8663
457 8LG 0.8660
458 ATO 0.8659
459 VNJ 0.8659
460 IND 0.8657
461 PYM 0.8654
462 YRL 0.8652
463 2LP 0.8652
464 BZF 0.8650
465 RBJ 0.8645
466 HTS 0.8645
467 MCT 0.8644
468 TB6 0.8644
469 I4B 0.8642
470 SAL 0.8641
471 1AN 0.8641
472 L89 0.8640
473 P1R 0.8636
474 AGK 0.8635
475 BE2 0.8633
476 YHO 0.8632
477 TSZ 0.8631
478 JZ9 0.8631
479 O7U 0.8631
480 0CT 0.8630
481 FP2 0.8630
482 2CO 0.8629
483 JZ0 0.8627
484 MPI 0.8620
485 DFB 0.8619
486 NPO 0.8618
487 4ZE 0.8618
488 AEF 0.8617
489 VX 0.8616
490 PAC 0.8614
491 JKE 0.8611
492 MUC 0.8610
493 76X 0.8610
494 PG3 0.8606
495 MED 0.8604
496 TDR 0.8601
497 FB2 0.8600
498 OXE 0.8600
499 3XX 0.8599
500 ICN 0.8599
501 TH0 0.8595
502 KYD 0.8594
503 HX2 0.8593
504 AZF 0.8592
505 TAN 0.8592
506 0PY 0.8591
507 OXZ 0.8591
508 2AF 0.8580
509 TAR 0.8580
510 SRT 0.8580
511 B20 0.8576
512 BNZ 0.8575
513 MET 0.8575
514 13D 0.8571
515 XYD 0.8570
516 H8N 0.8570
517 M2H 0.8570
518 PHB 0.8565
519 717 0.8564
520 URP 0.8563
521 P7I 0.8557
522 PGA 0.8555
523 XLS 0.8543
524 5UC 0.8530
525 7VD 0.8527
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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