Receptor
PDB id Resolution Class Description Source Keywords
2eun 1.7 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE (CCP) IN COMPLEX WITH 2,4-DIAMINOPYR SACCHAROMYCES CEREVISIAE ENGINEERED LIGAND BINDING SITE OXIDOREDUCTASE
Ref.: PROBING MOLECULAR DOCKING IN A CHARGED MODEL BINDIN J.MOL.BIOL. V. 357 1449 2006
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...
LG3 A:296;
Valid;
none;
Kd = 0.05 mM
110.117 C4 H6 N4 c1cnc...
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: LG3; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 LG3 1 1
2 8GF 0.5 0.785714
Similar Ligands (3D)
Ligand no: 1; Ligand: LG3; Similar ligands found: 795
No: Ligand Similarity coefficient
1 CRS 1.0000
2 DUC 1.0000
3 284 1.0000
4 3CH 1.0000
5 CYT 1.0000
6 URA 1.0000
7 CIG 1.0000
8 LG5 1.0000
9 BVF 1.0000
10 26D 1.0000
11 RCO 1.0000
12 M3T 0.9970
13 4H2 0.9961
14 B3R 0.9956
15 HEW 0.9941
16 HGQ 0.9931
17 HPY 0.9881
18 IDH 0.9870
19 HHQ 0.9835
20 24T 0.9827
21 RSF 0.9821
22 HYN 0.9795
23 CYH 0.9786
24 3ZQ 0.9780
25 CXL 0.9769
26 5ZE 0.9762
27 URF 0.9755
28 3AY 0.9742
29 HAI 0.9740
30 WBU 0.9735
31 MCT 0.9731
32 WDL 0.9726
33 13X 0.9725
34 E60 0.9724
35 CEJ 0.9724
36 9PO 0.9721
37 XYP 0.9719
38 AX2 0.9717
39 4ZE 0.9714
40 1MC 0.9713
41 TDR 0.9711
42 V1L 0.9709
43 285 0.9709
44 6UA 0.9709
45 A1U 0.9709
46 MWM 0.9708
47 IPH 0.9707
48 2AC 0.9705
49 MBD 0.9703
50 275 0.9702
51 2MP 0.9695
52 3AP 0.9695
53 3FA 0.9694
54 4HO 0.9693
55 PYD 0.9693
56 ICP 0.9693
57 HRZ 0.9690
58 3MC 0.9689
59 2DR 0.9688
60 QOS 0.9686
61 40O 0.9685
62 4AP 0.9683
63 GMN 0.9683
64 PYG 0.9683
65 XBZ 0.9683
66 XYD 0.9681
67 FFP 0.9681
68 WOT 0.9681
69 34A 0.9680
70 2MY 0.9678
71 2C9 0.9677
72 LGA 0.9673
73 MBN 0.9672
74 2ZX 0.9671
75 BR8 0.9669
76 ERH 0.9666
77 2AP 0.9665
78 HVK 0.9665
79 CAQ 0.9663
80 FLM 0.9661
81 25T 0.9657
82 5UC 0.9657
83 5AN 0.9655
84 XIX 0.9647
85 2YU 0.9646
86 TM4 0.9642
87 92Z 0.9641
88 A2Q 0.9640
89 4CL 0.9640
90 L89 0.9639
91 8LG 0.9638
92 DUB 0.9638
93 43M 0.9638
94 HT4 0.9637
95 6MH 0.9637
96 3CE 0.9636
97 4JJ 0.9631
98 5MH 0.9629
99 H3M 0.9625
100 TH0 0.9624
101 7EX 0.9623
102 BR9 0.9621
103 2CM 0.9620
104 JZ2 0.9618
105 FP2 0.9616
106 76X 0.9616
107 2IM 0.9615
108 1AN 0.9614
109 8CL 0.9614
110 93Q 0.9613
111 TM7 0.9611
112 282 0.9611
113 47J 0.9610
114 27Y 0.9608
115 MZG 0.9608
116 2AF 0.9606
117 DMG 0.9602
118 4JO 0.9601
119 OXE 0.9595
120 BEW 0.9595
121 5JC 0.9589
122 280 0.9587
123 GXE 0.9586
124 ECE 0.9578
125 2CH 0.9578
126 MWJ 0.9577
127 3MH 0.9563
128 DTI 0.9560
129 HTS 0.9560
130 HHN 0.9558
131 IUR 0.9552
132 TMT 0.9547
133 JZ0 0.9546
134 938 0.9533
135 NK 0.9527
136 C5J 0.9526
137 RP7 0.9526
138 TLD 0.9518
139 TTO 0.9517
140 AHR 0.9508
141 2KT 0.9507
142 C2A 0.9503
143 MLM 0.9503
144 HBX 0.9490
145 NBE 0.9490
146 M2H 0.9486
147 ABN 0.9486
148 ADE 0.9484
149 HSL 0.9483
150 L60 0.9480
151 PYF 0.9479
152 94N 0.9477
153 HGW 0.9476
154 JZ3 0.9475
155 GBD 0.9475
156 SYN 0.9475
157 0R1 0.9474
158 6X8 0.9471
159 93B 0.9470
160 MB3 0.9470
161 0R0 0.9469
162 HPA 0.9468
163 J1Z 0.9467
164 Y8I 0.9467
165 MLA 0.9466
166 DTL 0.9466
167 LXC 0.9465
168 0CT 0.9465
169 GVH 0.9465
170 GAG 0.9463
171 9HX 0.9462
172 MZ0 0.9461
173 MLI 0.9461
174 BZI 0.9461
175 7HP 0.9461
176 TCZ 0.9455
177 23A 0.9454
178 6MP 0.9453
179 PIH 0.9450
180 AMC 0.9449
181 4XX 0.9447
182 LZ1 0.9445
183 DMI 0.9443
184 FPI 0.9442
185 ICC 0.9442
186 23W 0.9442
187 OXQ 0.9441
188 MMZ 0.9439
189 1XX 0.9438
190 HY3 0.9437
191 KSW 0.9432
192 MPI 0.9431
193 XYS 0.9430
194 9DA 0.9429
195 R8S 0.9425
196 BZF 0.9424
197 1PT 0.9424
198 IND 0.9418
199 DEN 0.9418
200 YAN 0.9418
201 4JP 0.9417
202 5AC 0.9412
203 TMZ 0.9410
204 MLT 0.9410
205 APY 0.9400
206 P2D 0.9396
207 PY7 0.9394
208 HIU 0.9390
209 10L 0.9388
210 PM6 0.9387
211 3Z7 0.9383
212 DGY 0.9373
213 BTE 0.9371
214 DXX 0.9371
215 JIF 0.9370
216 1DH 0.9370
217 DSN 0.9367
218 BP1 0.9364
219 ES4 0.9364
220 YHO 0.9362
221 KG7 0.9360
222 7WA 0.9358
223 IDM 0.9355
224 FPY 0.9349
225 4ZC 0.9349
226 PLQ 0.9348
227 O7U 0.9343
228 2A7 0.9341
229 4XR 0.9341
230 GOL 0.9341
231 0TR 0.9340
232 CYS 0.9334
233 P3K 0.9332
234 1MR 0.9330
235 4AX 0.9330
236 4JU 0.9329
237 HQE 0.9327
238 9EW 0.9323
239 F05 0.9322
240 278 0.9319
241 DA1 0.9318
242 LG4 0.9314
243 286 0.9312
244 60P 0.9309
245 MZW 0.9307
246 PCR 0.9305
247 NVI 0.9295
248 HLR 0.9293
249 7CZ 0.9291
250 FPN 0.9291
251 6AI 0.9291
252 MAK 0.9291
253 BZX 0.9289
254 1DW 0.9288
255 DFB 0.9288
256 PXY 0.9286
257 3PY 0.9277
258 NMJ 0.9275
259 7MH 0.9274
260 PYJ 0.9272
261 IFM 0.9270
262 T6C 0.9267
263 25R 0.9266
264 B24 0.9264
265 35C 0.9259
266 5MB 0.9257
267 150 0.9252
268 2MH 0.9251
269 SVN 0.9251
270 SER 0.9250
271 NEQ 0.9249
272 JZ1 0.9246
273 BAQ 0.9246
274 S76 0.9244
275 1WG 0.9243
276 2K4 0.9239
277 R8A 0.9237
278 1CB 0.9237
279 3XX 0.9236
280 3MT 0.9232
281 BVC 0.9231
282 SAL 0.9231
283 9CL 0.9224
284 ES9 0.9223
285 0RW 0.9218
286 AMT 0.9218
287 14O 0.9217
288 5H1 0.9217
289 3U4 0.9213
290 4JN 0.9213
291 OXZ 0.9212
292 F60 0.9212
293 FOA 0.9212
294 RIB 0.9210
295 4HS 0.9206
296 6HQ 0.9205
297 5MI 0.9205
298 RIP 0.9204
299 F81 0.9202
300 4SV 0.9201
301 ES6 0.9198
302 AZF 0.9198
303 0MK 0.9195
304 BEZ 0.9195
305 BE2 0.9187
306 MR3 0.9187
307 BML 0.9186
308 PYC 0.9184
309 PRO 0.9180
310 64K 0.9180
311 3TR 0.9174
312 TBP 0.9172
313 2CQ 0.9171
314 FW5 0.9171
315 ARB 0.9168
316 1MZ 0.9167
317 ABA 0.9165
318 4CH 0.9165
319 265 0.9164
320 AGK 0.9164
321 11S 0.9162
322 TAR 0.9161
323 4MZ 0.9160
324 2AI 0.9160
325 5MP 0.9159
326 JZ9 0.9158
327 FUC 0.9158
328 4DX 0.9156
329 H76 0.9155
330 TZC 0.9155
331 YTB 0.9153
332 4CS 0.9151
333 OHG 0.9150
334 F4Z 0.9149
335 HOW 0.9148
336 DFU 0.9146
337 3NT 0.9146
338 MZY 0.9146
339 5HN 0.9144
340 H4N 0.9144
341 NIO 0.9142
342 ARA 0.9141
343 FYU 0.9138
344 45C 0.9137
345 AZA 0.9135
346 ZZ3 0.9135
347 8GC 0.9131
348 GBL 0.9131
349 ATQ 0.9130
350 FK1 0.9129
351 VAL 0.9127
352 12M 0.9127
353 JBN 0.9125
354 GUN 0.9124
355 GIF 0.9124
356 HVQ 0.9121
357 BEN 0.9121
358 2MZ 0.9120
359 A2F 0.9119
360 B20 0.9117
361 SEJ 0.9117
362 ASP 0.9116
363 AAE 0.9116
364 NBZ 0.9116
365 5RG 0.9115
366 PZA 0.9113
367 JFD 0.9111
368 TP5 0.9110
369 L3Q 0.9109
370 6AP 0.9109
371 QUZ 0.9108
372 3AB 0.9108
373 NCA 0.9104
374 3HB 0.9102
375 1WD 0.9102
376 Z6J 0.9101
377 OVV 0.9101
378 8NY 0.9100
379 9TY 0.9097
380 53C 0.9097
381 IGA 0.9097
382 5KX 0.9093
383 AUD 0.9091
384 1DU 0.9090
385 YCP 0.9090
386 HMH 0.9089
387 TC7 0.9088
388 XAN 0.9087
389 GAB 0.9087
390 IOL 0.9086
391 9X7 0.9086
392 BYZ 0.9085
393 VGL 0.9085
394 6M9 0.9085
395 JZ6 0.9083
396 LER 0.9081
397 3GR 0.9080
398 C21 0.9080
399 JAB 0.9079
400 JAE 0.9079
401 WCE 0.9079
402 BVG 0.9079
403 PCA 0.9079
404 25W 0.9076
405 290 0.9074
406 AZG 0.9073
407 6PC 0.9073
408 KIV 0.9073
409 6M4 0.9071
410 0PY 0.9070
411 9DG 0.9069
412 FUF 0.9067
413 KOJ 0.9064
414 270 0.9063
415 YH7 0.9060
416 3SK 0.9058
417 BNZ 0.9058
418 CFP 0.9058
419 2PC 0.9056
420 FUL 0.9055
421 P1R 0.9054
422 G6D 0.9054
423 273 0.9053
424 Q88 0.9053
425 141 0.9052
426 JKE 0.9052
427 BRT 0.9052
428 LDU 0.9050
429 OXL 0.9050
430 IP0 0.9049
431 3BZ 0.9049
432 1XM 0.9048
433 GLC 0.9048
434 ES3 0.9046
435 AX7 0.9045
436 M1E 0.9042
437 PHZ 0.9039
438 SWD 0.9039
439 PYR 0.9037
440 GTQ 0.9035
441 NPY 0.9035
442 5M0 0.9034
443 SMV 0.9032
444 F5B 0.9032
445 54G 0.9031
446 DX4 0.9031
447 OXM 0.9029
448 R2B 0.9025
449 XQG 0.9025
450 6GU 0.9025
451 UNU 0.9023
452 THR 0.9023
453 BOA 0.9022
454 BAM 0.9020
455 I3A 0.9020
456 HX3 0.9020
457 HGY 0.9019
458 2OP 0.9019
459 2RA 0.9018
460 HH5 0.9018
461 1P3 0.9018
462 1AB 0.9016
463 CRN 0.9015
464 DAL 0.9014
465 ZZT 0.9011
466 VNJ 0.9011
467 A3B 0.9010
468 DBB 0.9010
469 ADK 0.9010
470 ES0 0.9009
471 FCA 0.9009
472 P92 0.9008
473 CP 0.9007
474 EDG 0.9006
475 7WV 0.9005
476 2MI 0.9005
477 3MA 0.9003
478 7HQ 0.9001
479 ABE 0.8999
480 CIZ 0.8997
481 PYZ 0.8997
482 DAB 0.8997
483 KYD 0.8993
484 1AC 0.8993
485 ALO 0.8992
486 03W 0.8992
487 F0J 0.8990
488 NTN 0.8990
489 URQ 0.8990
490 OXD 0.8988
491 261 0.8986
492 BP9 0.8986
493 ITN 0.8986
494 SMB 0.8986
495 HUI 0.8982
496 6SP 0.8981
497 IT2 0.8980
498 DCY 0.8980
499 5MK 0.8980
500 HSE 0.8976
501 CWM 0.8974
502 14J 0.8973
503 HBA 0.8972
504 6CS 0.8970
505 M1A 0.8968
506 0CU 0.8963
507 2XX 0.8963
508 LMR 0.8962
509 LAC 0.8962
510 24B 0.8956
511 192 0.8954
512 GXV 0.8953
513 1XN 0.8951
514 M58 0.8950
515 BCP 0.8948
516 R1X 0.8947
517 ALA 0.8946
518 FCB 0.8946
519 TH7 0.8946
520 SX1 0.8946
521 AC0 0.8945
522 SS2 0.8944
523 OAA 0.8944
524 DIE 0.8942
525 FP1 0.8942
526 PYM 0.8940
527 51F 0.8940
528 TFB 0.8938
529 9TZ 0.8936
530 IMR 0.8934
531 HIO 0.8932
532 ABV 0.8931
533 FLA 0.8929
534 3ZS 0.8929
535 V55 0.8927
536 NAK 0.8927
537 URP 0.8926
538 PRS 0.8920
539 42A 0.8917
540 3OC 0.8912
541 4SD 0.8912
542 HMU 0.8910
543 JZ5 0.8906
544 N5J 0.8904
545 FAN 0.8904
546 TLA 0.8904
547 ADZ 0.8901
548 2EZ 0.8900
549 SS1 0.8900
550 7WG 0.8900
551 PHB 0.8899
552 QSC 0.8896
553 1P7 0.8896
554 5Q0 0.8896
555 3F0 0.8895
556 67N 0.8895
557 7B4 0.8894
558 1LQ 0.8893
559 NSP 0.8893
560 KPL 0.8892
561 ES1 0.8891
562 5IQ 0.8890
563 MRY 0.8888
564 9YL 0.8888
565 DPR 0.8887
566 NCM 0.8887
567 4JL 0.8885
568 4YS 0.8882
569 JPZ 0.8882
570 PBC 0.8878
571 1NP 0.8877
572 5B1 0.8877
573 GIO 0.8875
574 MAE 0.8875
575 4VP 0.8875
576 1LM 0.8871
577 TMH 0.8871
578 RSO 0.8871
579 NOJ 0.8870
580 HQY 0.8870
581 HZP 0.8867
582 4HM 0.8866
583 GYE 0.8866
584 5SG 0.8865
585 RM1 0.8864
586 BUO 0.8863
587 PAE 0.8861
588 1SQ 0.8860
589 UGC 0.8859
590 NIS 0.8858
591 XXR 0.8857
592 JBK 0.8857
593 PRI 0.8855
594 IHG 0.8853
595 LZM 0.8850
596 PBE 0.8849
597 3M0 0.8849
598 39J 0.8849
599 O72 0.8848
600 UY7 0.8847
601 PAF 0.8847
602 DBH 0.8846
603 G2F 0.8845
604 6LW 0.8841
605 JBH 0.8840
606 OXC 0.8837
607 2CK 0.8836
608 3HA 0.8833
609 4M4 0.8830
610 3MB 0.8829
611 RUU 0.8826
612 C2N 0.8825
613 GOO 0.8825
614 5Y9 0.8824
615 HH8 0.8824
616 G4D 0.8822
617 MFB 0.8822
618 BAE 0.8821
619 IPZ 0.8820
620 FPK 0.8820
621 260 0.8820
622 OVM 0.8818
623 HCS 0.8816
624 TZE 0.8815
625 AKB 0.8815
626 EUG 0.8812
627 DTU 0.8811
628 5OB 0.8810
629 3DM 0.8808
630 2ZV 0.8803
631 JFJ 0.8802
632 SGL 0.8798
633 NVA 0.8798
634 4XH 0.8797
635 JBE 0.8794
636 24W 0.8793
637 QWN 0.8789
638 SSN 0.8789
639 3OH 0.8787
640 8H8 0.8786
641 DOR 0.8785
642 9X6 0.8784
643 DPF 0.8783
644 RAM 0.8779
645 MRZ 0.8778
646 69O 0.8778
647 ASN 0.8778
648 HYP 0.8776
649 BNS 0.8773
650 UYA 0.8772
651 MMU 0.8771
652 32O 0.8770
653 BSX 0.8768
654 40E 0.8765
655 JB5 0.8764
656 FBA 0.8760
657 IQ0 0.8758
658 ORO 0.8757
659 FRU 0.8754
660 FQI 0.8752
661 H8N 0.8751
662 NXA 0.8750
663 RM4 0.8750
664 6F0 0.8748
665 RNS 0.8748
666 II6 0.8747
667 7W4 0.8747
668 5NU 0.8744
669 GRE 0.8744
670 4JM 0.8741
671 717 0.8740
672 BZ3 0.8738
673 QXW 0.8738
674 03V 0.8737
675 COU 0.8737
676 34D 0.8737
677 5CU 0.8735
678 DGJ 0.8735
679 PEA 0.8734
680 ALQ 0.8734
681 EXO 0.8733
682 C2B 0.8731
683 82I 0.8730
684 3DO 0.8727
685 XM0 0.8726
686 4FS 0.8726
687 7NI 0.8726
688 EQT 0.8725
689 2AQ 0.8723
690 BAL 0.8722
691 IFL 0.8722
692 9MG 0.8721
693 T2C 0.8720
694 DMD 0.8717
695 ISN 0.8717
696 KKN 0.8716
697 MAN 0.8714
698 98J 0.8713
699 MEU 0.8713
700 1SP 0.8713
701 ES5 0.8711
702 JZ4 0.8709
703 XUL 0.8707
704 TIU 0.8704
705 5WV 0.8702
706 DYA 0.8701
707 1LN 0.8701
708 ES7 0.8700
709 LRH 0.8700
710 XRG 0.8699
711 5VM 0.8698
712 XQ0 0.8695
713 2LP 0.8692
714 XBT 0.8691
715 N8P 0.8690
716 1DQ 0.8690
717 CEE 0.8689
718 3HM 0.8686
719 FUB 0.8684
720 4M0 0.8682
721 42C 0.8681
722 D1X 0.8681
723 2D0 0.8680
724 INO 0.8680
725 SJ5 0.8680
726 AW5 0.8679
727 3ID 0.8675
728 4NC 0.8675
729 DOB 0.8673
730 HHA 0.8673
731 ASO 0.8670
732 TB6 0.8670
733 GAL 0.8668
734 G5V 0.8666
735 Q6T 0.8662
736 B53 0.8661
737 FA0 0.8657
738 TEO 0.8657
739 H42 0.8656
740 SIN 0.8656
741 PEL 0.8655
742 MYJ 0.8654
743 93K 0.8653
744 DHB 0.8652
745 8EZ 0.8649
746 4PW 0.8648
747 BHO 0.8647
748 IOM 0.8643
749 NOY 0.8643
750 ET2 0.8642
751 HSM 0.8642
752 SAR 0.8641
753 IF7 0.8640
754 36R 0.8640
755 FHB 0.8639
756 UNC 0.8638
757 1P8 0.8634
758 DCD 0.8634
759 I2M 0.8632
760 6M1 0.8631
761 B55 0.8630
762 AKH 0.8629
763 NPO 0.8628
764 4A3 0.8627
765 CSS 0.8624
766 VGD 0.8624
767 DMJ 0.8623
768 FOT 0.8620
769 MR1 0.8620
770 8IG 0.8608
771 RB5 0.8608
772 FDB 0.8600
773 P9P 0.8599
774 ILE 0.8599
775 ZBT 0.8599
776 51R 0.8598
777 6JN 0.8598
778 PZI 0.8597
779 NNO 0.8597
780 LCN 0.8591
781 XCZ 0.8588
782 DAS 0.8581
783 BUA 0.8580
784 C2U 0.8577
785 HY1 0.8577
786 MNM 0.8573
787 PRY 0.8572
788 SF9 0.8572
789 BTY 0.8569
790 SR1 0.8559
791 S0H 0.8559
792 Z82 0.8551
793 AS3 0.8549
794 5RN 0.8541
795 EV0 0.8520
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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