Receptor
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.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:301;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
7WG A:302;
 Valid;
 none;
 Kd = 0.04 uM
123.156 C6 H9 N3 c1c([...
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: 7WG; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 7WG 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 7WG; Similar ligands found: 1000
No: Ligand Similarity coefficient
1 OHG 0.9767
2 RSO 0.9693
3 14J 0.9662
4 BP9 0.9661
5 PCA 0.9605
6 BEN 0.9592
7 MZW 0.9585
8 BAM 0.9577
9 PBC 0.9554
10 HSM 0.9540
11 4VP 0.9538
12 HBA 0.9537
13 3OC 0.9530
14 OAA 0.9522
15 3AB 0.9521
16 BEZ 0.9521
17 PAB 0.9511
18 BNS 0.9507
19 NIO 0.9505
20 NPO 0.9504
21 GAB 0.9498
22 PHB 0.9494
23 MUC 0.9488
24 3HB 0.9488
25 1DU 0.9487
26 TPA 0.9486
27 NCA 0.9486
28 6PC 0.9480
29 AC0 0.9473
30 OVV 0.9470
31 VGL 0.9468
32 NTN 0.9459
33 SS2 0.9458
34 PAC 0.9458
35 4CS 0.9452
36 QY9 0.9451
37 PEL 0.9450
38 1DV 0.9450
39 HBX 0.9450
40 PZA 0.9449
41 UNU 0.9447
42 HDA 0.9443
43 FQI 0.9443
44 MLT 0.9436
45 ASP 0.9435
46 AC6 0.9433
47 AMC 0.9432
48 NMJ 0.9431
49 PYJ 0.9430
50 QSC 0.9429
51 ABN 0.9428
52 SPA 0.9422
53 47J 0.9420
54 JBN 0.9420
55 PBZ 0.9419
56 PEA 0.9419
57 271 0.9418
58 3NT 0.9416
59 8GC 0.9416
60 53C 0.9415
61 4FA 0.9414
62 P72 0.9414
63 APY 0.9413
64 TEO 0.9411
65 1SA 0.9409
66 1Y6 0.9409
67 SNE 0.9407
68 7N0 0.9407
69 YRL 0.9404
70 JZ7 0.9404
71 IXW 0.9402
72 NBZ 0.9400
73 GJZ 0.9399
74 PKU 0.9397
75 SYN 0.9396
76 CXF 0.9396
77 FAN 0.9395
78 GLY GLY 0.9393
79 JZ5 0.9393
80 AEF 0.9388
81 JFJ 0.9387
82 R2B 0.9385
83 PY7 0.9383
84 PHU 0.9380
85 HBD 0.9379
86 RBJ 0.9378
87 WCE 0.9378
88 PYF 0.9377
89 HY1 0.9376
90 NBE 0.9372
91 M6W 0.9372
92 TZE 0.9368
93 GUA 0.9363
94 1MR 0.9356
95 SIN 0.9355
96 FBA 0.9351
97 TZC 0.9347
98 C2A 0.9345
99 HYP 0.9342
100 2PC 0.9339
101 282 0.9336
102 3BZ 0.9335
103 51F 0.9334
104 9CL 0.9334
105 H8N 0.9333
106 M58 0.9329
107 IZC 0.9326
108 FPI 0.9325
109 CEE 0.9324
110 4JL 0.9322
111 69O 0.9321
112 B24 0.9321
113 PZI 0.9320
114 SS1 0.9317
115 2AL 0.9317
116 4NC 0.9313
117 ISZ 0.9311
118 KOJ 0.9311
119 LMR 0.9310
120 CFI 0.9310
121 1AB 0.9308
122 4P5 0.9302
123 FUM 0.9299
124 TSU 0.9298
125 FOA 0.9297
126 OGA 0.9297
127 DHB 0.9296
128 LDU 0.9295
129 LEU 0.9295
130 HVQ 0.9294
131 BVC 0.9294
132 49F 0.9293
133 ASN 0.9292
134 C2B 0.9291
135 PRO 0.9289
136 XRG 0.9288
137 TLA 0.9286
138 4MA 0.9286
139 51R 0.9285
140 Z82 0.9282
141 UY7 0.9282
142 YCP 0.9279
143 AHR 0.9278
144 SAN 0.9277
145 9X7 0.9276
146 4JM 0.9272
147 TIU 0.9271
148 XM0 0.9269
149 717 0.9267
150 BHO 0.9266
151 HX2 0.9266
152 FB2 0.9264
153 NIZ 0.9263
154 PYC 0.9261
155 DTL 0.9261
156 DYA 0.9260
157 VKC 0.9259
158 54D 0.9258
159 OKG 0.9256
160 MZ0 0.9255
161 7A8 0.9255
162 5HN 0.9253
163 HIO 0.9250
164 NVI 0.9250
165 RHU 0.9249
166 GLU 0.9249
167 SMV 0.9248
168 2EZ 0.9246
169 LEA 0.9246
170 ABU 0.9244
171 261 0.9243
172 6AI 0.9240
173 GLL 0.9239
174 1P3 0.9238
175 PMB 0.9236
176 BRT 0.9234
177 AAS 0.9230
178 THE 0.9227
179 FCR 0.9227
180 IHG 0.9227
181 TYL 0.9225
182 23W 0.9224
183 BE7 0.9223
184 F60 0.9223
185 I1E 0.9222
186 MRZ 0.9222
187 AKG 0.9217
188 BNF 0.9217
189 INO 0.9217
190 K34 0.9217
191 FP1 0.9216
192 FBJ 0.9215
193 2LP 0.9214
194 4SD 0.9214
195 TAR 0.9213
196 4J8 0.9211
197 BZX 0.9209
198 OTR 0.9208
199 COI 0.9205
200 FEH 0.9203
201 IT2 0.9203
202 2K4 0.9197
203 HC4 0.9192
204 ROR 0.9190
205 1DQ 0.9190
206 DAS 0.9189
207 KTA 0.9189
208 3HP 0.9189
209 XBT 0.9189
210 BVG 0.9188
211 826 0.9185
212 XCZ 0.9185
213 FBS 0.9185
214 9YL 0.9184
215 BSX 0.9180
216 273 0.9180
217 JAE 0.9179
218 I4B 0.9177
219 PRI 0.9177
220 TH7 0.9177
221 FBW 0.9177
222 UGC 0.9175
223 AMH 0.9173
224 14O 0.9172
225 OEG 0.9171
226 5H1 0.9170
227 OK7 0.9170
228 AL0 0.9169
229 3AL 0.9167
230 3HG 0.9165
231 5AC 0.9164
232 XYL 0.9163
233 RB5 0.9163
234 M4T 0.9163
235 HSE 0.9163
236 FBM 0.9160
237 NYL 0.9159
238 268 0.9159
239 4JU 0.9158
240 40E 0.9156
241 ORN 0.9155
242 GAG 0.9155
243 MRY 0.9154
244 PGA 0.9153
245 278 0.9152
246 IMR 0.9151
247 2RH 0.9149
248 VNJ 0.9149
249 5MI 0.9146
250 ITN 0.9146
251 FW5 0.9146
252 HYA 0.9145
253 GLN 0.9145
254 NSP 0.9144
255 173 0.9143
256 DPR 0.9142
257 S2G 0.9142
258 URQ 0.9141
259 174 0.9141
260 F9P 0.9141
261 RBL 0.9139
262 1P8 0.9139
263 XUL 0.9138
264 HDH 0.9137
265 JZ4 0.9133
266 FYU 0.9132
267 URO 0.9130
268 3SL 0.9129
269 270 0.9128
270 AX7 0.9128
271 286 0.9126
272 C21 0.9125
273 5MB 0.9125
274 4HP 0.9124
275 OVM 0.9124
276 11S 0.9123
277 PRY 0.9121
278 M2H 0.9121
279 8K2 0.9120
280 PZM 0.9120
281 LLQ 0.9118
282 ZBT 0.9117
283 NXA 0.9117
284 TZL 0.9117
285 1DJ 0.9113
286 5CU 0.9113
287 TP5 0.9112
288 OHP 0.9108
289 ORO 0.9108
290 MAE 0.9107
291 MYJ 0.9106
292 ANN 0.9106
293 2HG 0.9105
294 93K 0.9103
295 CRS 0.9102
296 MLA 0.9102
297 4WL 0.9101
298 2MH 0.9101
299 OW4 0.9101
300 2MI 0.9099
301 DHS 0.9099
302 HGQ 0.9098
303 J9T 0.9096
304 AEG 0.9094
305 4XR 0.9094
306 R1X 0.9094
307 DOB 0.9094
308 PNZ 0.9094
309 Z6J 0.9093
310 JAB 0.9093
311 H4N 0.9093
312 7MU 0.9093
313 PMF 0.9093
314 280 0.9092
315 SRT 0.9090
316 PEP 0.9090
317 ES9 0.9089
318 23A 0.9089
319 AHB 0.9089
320 4ZA 0.9088
321 DBH 0.9087
322 258 0.9086
323 FK1 0.9086
324 E5X 0.9086
325 DGL 0.9086
326 4MV 0.9085
327 MLI 0.9083
328 069 0.9082
329 IP0 0.9081
330 3U4 0.9079
331 XX2 0.9078
332 EDG 0.9078
333 1LN 0.9078
334 MNN 0.9077
335 5XB 0.9073
336 HTX 0.9073
337 CRN 0.9072
338 LER 0.9072
339 IOM 0.9072
340 DGN 0.9071
341 SHA 0.9071
342 SAL 0.9070
343 3SK 0.9070
344 R8S 0.9070
345 DHR 0.9068
346 H42 0.9068
347 R67 0.9068
348 2HO 0.9068
349 BML 0.9067
350 R8A 0.9066
351 URS 0.9066
352 F81 0.9065
353 QDK 0.9065
354 TFB 0.9065
355 JZ3 0.9064
356 HSO 0.9063
357 HQE 0.9062
358 60P 0.9062
359 SGL 0.9061
360 OXZ 0.9059
361 6NA 0.9058
362 NNO 0.9058
363 SSN 0.9058
364 J9N 0.9058
365 OMD 0.9057
366 HIS 0.9055
367 AMS 0.9055
368 ZZT 0.9054
369 8NY 0.9054
370 24B 0.9054
371 SHF 0.9052
372 LDP 0.9051
373 1GP 0.9051
374 N4B 0.9050
375 3V4 0.9050
376 GLY ALA 0.9050
377 XLS 0.9050
378 264 0.9050
379 BZ3 0.9050
380 OXQ 0.9049
381 ABV 0.9048
382 RIB 0.9047
383 I3A 0.9046
384 5NU 0.9045
385 BE2 0.9045
386 IHB 0.9044
387 KP6 0.9042
388 1MC 0.9042
389 MXN 0.9040
390 IPB 0.9039
391 SPV 0.9038
392 Q9Z 0.9038
393 SMN 0.9038
394 2A9 0.9038
395 CMS 0.9038
396 1SP 0.9034
397 34D 0.9033
398 PCR 0.9032
399 GGL 0.9032
400 LZ1 0.9031
401 NK 0.9031
402 SW7 0.9030
403 KMH 0.9030
404 NLE 0.9029
405 ES2 0.9029
406 4CH 0.9029
407 0HO 0.9029
408 HY3 0.9028
409 PLQ 0.9027
410 1KA 0.9027
411 DEN 0.9026
412 FPY 0.9025
413 ET2 0.9023
414 0R1 0.9023
415 P9P 0.9023
416 6M9 0.9022
417 JZ1 0.9021
418 PPR 0.9021
419 GYE 0.9021
420 2XX 0.9021
421 R9S 0.9021
422 URA 0.9019
423 CLW 0.9018
424 3HA 0.9018
425 449 0.9018
426 RCO 0.9018
427 284 0.9018
428 SN4 0.9017
429 8H8 0.9017
430 URP 0.9016
431 3XX 0.9015
432 AGK 0.9014
433 M3T 0.9014
434 1DW 0.9012
435 JKE 0.9010
436 XIY 0.9010
437 LG4 0.9010
438 4HS 0.9009
439 DE5 0.9009
440 IFM 0.9009
441 HCS 0.9009
442 PRA 0.9008
443 PRS 0.9008
444 GTQ 0.9008
445 GBD 0.9007
446 4SV 0.9007
447 PXY 0.9007
448 IND 0.9006
449 4HO 0.9006
450 L3Q 0.9006
451 GVH 0.9005
452 BHH 0.9005
453 OVP 0.9005
454 4BZ 0.9003
455 SR1 0.9001
456 DCL 0.9001
457 PAH 0.9001
458 G3P 0.9000
459 RMN 0.9000
460 6NT 0.9000
461 36R 0.8999
462 5FX 0.8996
463 1DH 0.8996
464 H95 0.8996
465 MR1 0.8995
466 K6H 0.8993
467 MCT 0.8992
468 NVA 0.8991
469 RNS 0.8991
470 FA0 0.8989
471 2CO 0.8989
472 FB1 0.8989
473 BZI 0.8988
474 3HM 0.8987
475 G3H 0.8986
476 URF 0.8986
477 PG0 0.8985
478 4JT 0.8985
479 ES6 0.8985
480 JYD 0.8985
481 BHA 0.8984
482 1WD 0.8984
483 25T 0.8983
484 263 0.8982
485 DA1 0.8982
486 25R 0.8982
487 SYC 0.8982
488 3M0 0.8982
489 HL5 0.8981
490 6M4 0.8981
491 HMH 0.8981
492 3FH 0.8981
493 F05 0.8980
494 BZF 0.8979
495 QSB 0.8979
496 TDR 0.8978
497 CHB 0.8978
498 9TW 0.8977
499 5OB 0.8976
500 3QM 0.8975
501 4A3 0.8975
502 T2C 0.8975
503 PGH 0.8974
504 GIF 0.8974
505 2AS 0.8973
506 DAV 0.8973
507 0RW 0.8972
508 HMU 0.8971
509 FHB 0.8971
510 RSF 0.8971
511 RNT 0.8970
512 WBU 0.8970
513 QMP 0.8970
514 IDM 0.8969
515 13P 0.8967
516 FPN 0.8967
517 H76 0.8967
518 0V5 0.8967
519 X0V 0.8967
520 AZF 0.8966
521 4M0 0.8966
522 IFP 0.8966
523 SD4 0.8965
524 9ON 0.8965
525 8OZ 0.8964
526 PG3 0.8964
527 G2H 0.8963
528 ALA ALA 0.8963
529 AC5 0.8962
530 7WV 0.8960
531 1CO 0.8960
532 ICF 0.8959
533 EHM 0.8959
534 HX3 0.8959
535 3CH 0.8959
536 PEQ 0.8958
537 BVF 0.8958
538 GZ3 0.8957
539 2AC 0.8957
540 JZ9 0.8956
541 MPI 0.8956
542 4JN 0.8956
543 COU 0.8955
544 XYD 0.8954
545 FBB 0.8953
546 5XC 0.8953
547 SJ5 0.8953
548 T9G 0.8951
549 K7M 0.8950
550 8WO 0.8950
551 MED 0.8949
552 HEW 0.8947
553 5UC 0.8946
554 2DR 0.8946
555 152 0.8946
556 0R0 0.8945
557 0HN 0.8945
558 HHQ 0.8945
559 ODO 0.8944
560 4FS 0.8944
561 5NI 0.8944
562 K2T 0.8943
563 3PG 0.8942
564 O8Y 0.8941
565 NMG 0.8940
566 WOT 0.8940
567 FA1 0.8939
568 3MB 0.8939
569 P2D 0.8939
570 5MH 0.8938
571 26D 0.8938
572 LNO 0.8936
573 5VM 0.8935
574 9J3 0.8933
575 XBZ 0.8932
576 D1X 0.8931
577 PIY 0.8930
578 ILE 0.8929
579 3F0 0.8929
580 GP9 0.8929
581 DOR 0.8929
582 34A 0.8928
583 DIE 0.8927
584 LG5 0.8927
585 DQY 0.8925
586 BPN 0.8924
587 2IT 0.8924
588 HQJ 0.8924
589 VGD 0.8923
590 SEP 0.8921
591 MET 0.8921
592 23J 0.8921
593 PYD 0.8920
594 ICP 0.8920
595 FBV 0.8920
596 LT1 0.8920
597 9EW 0.8920
598 3NY 0.8920
599 ONL 0.8919
600 KMT 0.8918
601 2FT 0.8918
602 OXC 0.8918
603 HPS 0.8915
604 B3R 0.8915
605 2AQ 0.8914
606 1PT 0.8914
607 P3K 0.8914
608 HCI 0.8914
609 2F6 0.8913
610 CSS 0.8912
611 8EW 0.8911
612 X1S 0.8911
613 XIX 0.8910
614 265 0.8910
615 JZ2 0.8909
616 9RW 0.8909
617 2ZM 0.8909
618 ASC 0.8908
619 GRO 0.8908
620 K5W 0.8907
621 4HM 0.8907
622 SC2 0.8907
623 4JJ 0.8906
624 XQ0 0.8906
625 TH0 0.8906
626 A1U 0.8906
627 EKZ 0.8905
628 PIM 0.8905
629 4SX 0.8905
630 ZZ3 0.8904
631 HHA 0.8903
632 EUG 0.8902
633 QUZ 0.8901
634 2CK 0.8901
635 OSE 0.8901
636 S8V 0.8901
637 LYL 0.8900
638 LG3 0.8900
639 FK8 0.8899
640 2MP 0.8898
641 DMG 0.8898
642 3ID 0.8897
643 OPE 0.8897
644 DAL DAL 0.8896
645 JB5 0.8896
646 MWM 0.8896
647 4FH 0.8896
648 HYN 0.8895
649 4ZE 0.8894
650 ES5 0.8893
651 B85 0.8893
652 03V 0.8891
653 YPN 0.8890
654 4CL 0.8889
655 EDR 0.8888
656 259 0.8887
657 DYT 0.8886
658 1M2 0.8886
659 5WV 0.8885
660 7BC 0.8885
661 1F1 0.8885
662 A13 0.8885
663 FOC 0.8884
664 4NM 0.8884
665 ABI 0.8882
666 RM1 0.8881
667 42J 0.8880
668 MZG 0.8879
669 DGJ 0.8878
670 4JC 0.8878
671 AH8 0.8877
672 54G 0.8877
673 HH5 0.8876
674 IOL 0.8874
675 E60 0.8873
676 43M 0.8872
677 8GL 0.8872
678 HLR 0.8872
679 LTL 0.8871
680 MAH 0.8871
681 CEJ 0.8870
682 PO6 0.8869
683 M4S 0.8869
684 CYT 0.8868
685 S76 0.8867
686 92K 0.8865
687 B2J 0.8865
688 JBE 0.8865
689 PIH 0.8864
690 4H2 0.8862
691 CIG 0.8862
692 3A9 0.8862
693 B40 0.8861
694 Q88 0.8861
695 AAE 0.8859
696 QOS 0.8858
697 5RG 0.8858
698 5JC 0.8856
699 6CS 0.8856
700 H3M 0.8855
701 SVD 0.8854
702 9TZ 0.8854
703 MNM 0.8853
704 DMD 0.8850
705 2A7 0.8848
706 OCH 0.8847
707 A8C 0.8847
708 2PG 0.8847
709 L5V 0.8844
710 ZXD 0.8842
711 27Y 0.8840
712 0CT 0.8840
713 GLC 0.8840
714 PBE 0.8839
715 GOJ 0.8838
716 3PY 0.8838
717 BR9 0.8837
718 F4E 0.8836
719 JBK 0.8835
720 3DM 0.8834
721 IF7 0.8832
722 ICB 0.8832
723 2BG 0.8830
724 NPY 0.8830
725 GZL 0.8830
726 J1Z 0.8829
727 3HL 0.8829
728 ISN 0.8828
729 LNR 0.8827
730 DTU 0.8826
731 PAF 0.8824
732 MSE 0.8823
733 7C3 0.8822
734 EV0 0.8821
735 R9M 0.8820
736 ICO 0.8818
737 C5J 0.8817
738 AW5 0.8816
739 MEV 0.8815
740 A09 0.8814
741 2FY 0.8814
742 AG2 0.8813
743 LYS 0.8813
744 3LR 0.8812
745 F9Y 0.8812
746 3PP 0.8811
747 IQ0 0.8811
748 5RN 0.8811
749 24T 0.8810
750 P92 0.8810
751 NOJ 0.8809
752 8GF 0.8809
753 SHO 0.8808
754 82I 0.8808
755 MEQ 0.8806
756 V55 0.8806
757 HHH 0.8804
758 MWJ 0.8803
759 MLE 0.8803
760 DBX 0.8801
761 BUB 0.8799
762 2EH 0.8798
763 4JO 0.8796
764 9DG 0.8795
765 16D 0.8794
766 285 0.8793
767 CIZ 0.8791
768 JLZ 0.8790
769 5M0 0.8790
770 MS9 0.8788
771 6NI 0.8788
772 BXO 0.8787
773 KBB 0.8787
774 KJU 0.8786
775 MLM 0.8785
776 6FZ 0.8784
777 LRH 0.8784
778 PSE 0.8784
779 J0Z 0.8783
780 HIU 0.8782
781 BZ2 0.8782
782 7W4 0.8778
783 LCN 0.8777
784 TM7 0.8777
785 2KT 0.8776
786 GXE 0.8775
787 MSR 0.8775
788 KKN 0.8773
789 JDN 0.8772
790 PD2 0.8772
791 2YU 0.8770
792 6GU 0.8769
793 GUN 0.8769
794 DPF 0.8767
795 4JP 0.8767
796 G2F 0.8767
797 BDP 0.8765
798 SYM 0.8764
799 7HQ 0.8764
800 CYS 0.8764
801 HHN 0.8763
802 DA4 0.8763
803 4XV 0.8762
804 4JQ 0.8762
805 PAE 0.8761
806 4XS 0.8760
807 4M4 0.8759
808 IUR 0.8759
809 HT4 0.8757
810 HPY 0.8757
811 TSS 0.8757
812 GAL 0.8756
813 3C4 0.8755
814 5GU 0.8755
815 IFL 0.8754
816 AS3 0.8754
817 XAN 0.8754
818 CN0 0.8750
819 BAL 0.8750
820 JA8 0.8750
821 CPZ 0.8747
822 2BX 0.8746
823 SME 0.8746
824 DHY 0.8746
825 MJ2 0.8746
826 9X6 0.8745
827 NCT 0.8744
828 8ZE 0.8744
829 PUT 0.8744
830 AX3 0.8742
831 RJY 0.8741
832 7VD 0.8739
833 CFP 0.8738
834 HQ9 0.8738
835 4NG 0.8737
836 TLD 0.8737
837 HPV 0.8737
838 A20 0.8736
839 ASO 0.8735
840 52C 0.8734
841 SX1 0.8733
842 41K 0.8731
843 ES7 0.8730
844 S24 0.8730
845 GWM 0.8730
846 IDH 0.8730
847 AT3 0.8730
848 GLY CYS 0.8729
849 KIV 0.8728
850 LZM 0.8728
851 F0J 0.8727
852 DHK 0.8725
853 EYK 0.8725
854 N6C 0.8724
855 M1A 0.8724
856 SVN 0.8723
857 L99 0.8723
858 67N 0.8722
859 SAR 0.8722
860 4AA 0.8718
861 1P7 0.8718
862 BUA 0.8718
863 DUC 0.8717
864 KDF 0.8716
865 NOY 0.8716
866 9SE 0.8712
867 O7U 0.8710
868 HGW 0.8708
869 5B1 0.8708
870 C5A 0.8704
871 8CL 0.8703
872 BMD 0.8703
873 IVA 0.8702
874 ES0 0.8702
875 RUU 0.8701
876 EGD 0.8698
877 JB8 0.8698
878 2HU 0.8697
879 LT2 0.8696
880 J9W 0.8696
881 DSN 0.8696
882 M1E 0.8696
883 129 0.8694
884 CP 0.8694
885 A29 0.8692
886 TYE 0.8691
887 URC 0.8691
888 6OT 0.8691
889 3PF 0.8691
890 AZA 0.8690
891 SER 0.8689
892 42A 0.8689
893 DGY 0.8687
894 G4D 0.8687
895 MBN 0.8684
896 2D0 0.8684
897 141 0.8679
898 RAT 0.8679
899 93B 0.8679
900 AZG 0.8678
901 HPA 0.8678
902 NF3 0.8678
903 PIS 0.8676
904 DX4 0.8675
905 5MK 0.8675
906 Y8I 0.8674
907 KYD 0.8672
908 4YO 0.8672
909 0MK 0.8669
910 TTO 0.8667
911 CWM 0.8667
912 FBU 0.8666
913 KG7 0.8665
914 36E 0.8660
915 S0H 0.8660
916 45L 0.8660
917 6AP 0.8658
918 TMZ 0.8658
919 SKM 0.8656
920 A2F 0.8652
921 XYP 0.8652
922 GXY 0.8651
923 R20 0.8651
924 NEQ 0.8650
925 EA1 0.8649
926 GDE 0.8648
927 APG 0.8645
928 IPU 0.8644
929 M1Q 0.8644
930 DHI 0.8643
931 ESP 0.8642
932 ECE 0.8640
933 QBK 0.8640
934 SYV 0.8639
935 BTY 0.8637
936 PC 0.8634
937 TGX 0.8634
938 TB6 0.8632
939 MAK 0.8629
940 I3E 0.8627
941 4XX 0.8625
942 ITU 0.8625
943 CXP 0.8624
944 IAC 0.8622
945 GOL 0.8622
946 N2I 0.8618
947 FUD 0.8617
948 CWJ 0.8616
949 ETX 0.8615
950 IPH 0.8613
951 ABA 0.8613
952 J6W 0.8612
953 7B4 0.8612
954 MAN 0.8611
955 1SH 0.8610
956 2TQ 0.8606
957 2CL 0.8604
958 IGA 0.8602
959 FSG 0.8600
960 E4P 0.8599
961 DCY 0.8598
962 MQN 0.8597
963 Q02 0.8597
964 36Y 0.8597
965 QSH 0.8592
966 3BU 0.8592
967 XAZ 0.8590
968 5QX 0.8590
969 FJO 0.8587
970 CHT 0.8585
971 1XM 0.8583
972 4HC 0.8582
973 5QY 0.8581
974 THR 0.8580
975 290 0.8580
976 SOE 0.8580
977 5JQ 0.8576
978 1LQ 0.8576
979 0TU 0.8576
980 PYG 0.8575
981 YH7 0.8573
982 10L 0.8572
983 94W 0.8572
984 CIT 0.8572
985 TAG 0.8571
986 B55 0.8569
987 MZT 0.8569
988 KVP 0.8567
989 8TX 0.8565
990 VAL 0.8563
991 5LA 0.8561
992 G3E 0.8557
993 SOR 0.8556
994 24W 0.8553
995 2HQ 0.8548
996 KDG 0.8544
997 86J 0.8542
998 1SQ 0.8534
999 6RQ 0.8528
1000 MEU 0.8521
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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