Receptor
PDB id Resolution Class Description Source Keywords
2AS1 1.55 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE IN COMPLEX WITH THIOPHENEAMIDINE SACCHAROMYCES CEREVISIAE OXIDUREDUCTASE PEROXIDASE MODEL BINDING SITE OXIDOREDUCTASE
Ref.: PROBING MOLECULAR DOCKING IN A CHARGED MODEL BINDING SITE. 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:400;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
TP5 A:500;
 Valid;
 none;
 Kd = 0.02 mM
126.18 C5 H6 N2 S [H]/N...
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: TP5; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TP5 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TP5; Similar ligands found: 859
No: Ligand Similarity coefficient
1 C21 1.0000
2 265 1.0000
3 FOA 1.0000
4 PYC 1.0000
5 PRO 1.0000
6 2PC 0.9997
7 SMV 0.9996
8 JBN 0.9992
9 TZC 0.9980
10 273 0.9970
11 BEN 0.9940
12 6PC 0.9939
13 BAM 0.9932
14 BEZ 0.9932
15 YCP 0.9930
16 JAB 0.9917
17 NCA 0.9917
18 NBZ 0.9905
19 UNU 0.9895
20 NIO 0.9888
21 PZA 0.9877
22 PBC 0.9874
23 NTN 0.9870
24 BE7 0.9868
25 VGL 0.9866
26 AC0 0.9853
27 M58 0.9840
28 J1Z 0.9820
29 SS1 0.9800
30 IT2 0.9745
31 PRS 0.9725
32 IND 0.9715
33 BNS 0.9709
34 BZI 0.9702
35 QSC 0.9697
36 DPR 0.9687
37 LZ1 0.9686
38 GAG 0.9680
39 0R1 0.9672
40 XBT 0.9671
41 BZF 0.9669
42 TFB 0.9664
43 4JP 0.9661
44 MPI 0.9659
45 SS2 0.9658
46 GBD 0.9656
47 GVH 0.9654
48 60P 0.9653
49 DEN 0.9646
50 54D 0.9633
51 5AC 0.9629
52 1DU 0.9627
53 JZ5 0.9619
54 DMG 0.9614
55 0CT 0.9611
56 MLA 0.9608
57 OXQ 0.9600
58 MLI 0.9594
59 PY7 0.9583
60 C5J 0.9583
61 OAA 0.9576
62 KIV 0.9572
63 1PT 0.9568
64 14J 0.9566
65 IDM 0.9562
66 HBX 0.9551
67 UGC 0.9548
68 HY3 0.9547
69 CFI 0.9541
70 282 0.9538
71 FQI 0.9532
72 MZ0 0.9532
73 P2D 0.9531
74 SYN 0.9531
75 MAK 0.9521
76 ZBT 0.9521
77 TZL 0.9521
78 FBJ 0.9519
79 MLM 0.9516
80 RSF 0.9513
81 PYF 0.9512
82 HX2 0.9509
83 HYP 0.9500
84 ABN 0.9496
85 2KT 0.9496
86 JZ7 0.9495
87 I1E 0.9490
88 ISZ 0.9489
89 NBE 0.9486
90 MLT 0.9484
91 MRZ 0.9482
92 HVQ 0.9480
93 1MR 0.9478
94 BHO 0.9476
95 AMC 0.9474
96 1DQ 0.9470
97 FPI 0.9470
98 THR 0.9467
99 NVI 0.9460
100 HSM 0.9458
101 LMR 0.9457
102 FEH 0.9455
103 3U4 0.9451
104 UY7 0.9446
105 3HL 0.9444
106 KG7 0.9439
107 JZ9 0.9439
108 QUZ 0.9438
109 DYA 0.9435
110 3PY 0.9434
111 FAN 0.9433
112 NPY 0.9425
113 OK7 0.9423
114 PCA 0.9422
115 AAE 0.9405
116 M6W 0.9404
117 SAL 0.9397
118 5H1 0.9397
119 BVG 0.9397
120 DTL 0.9396
121 14O 0.9395
122 2K4 0.9394
123 BE2 0.9393
124 FBM 0.9392
125 F60 0.9392
126 SVN 0.9390
127 T2C 0.9390
128 RSO 0.9389
129 2CK 0.9388
130 TH0 0.9387
131 SIN 0.9386
132 0RW 0.9383
133 3HR 0.9382
134 HLR 0.9381
135 NMJ 0.9380
136 JBE 0.9377
137 6AI 0.9376
138 3ZQ 0.9376
139 6M9 0.9371
140 NPO 0.9371
141 F05 0.9366
142 HSE 0.9365
143 8GC 0.9365
144 BZX 0.9364
145 BVC 0.9361
146 PHB 0.9361
147 JKE 0.9358
148 5MI 0.9357
149 5MB 0.9357
150 23W 0.9356
151 4SV 0.9355
152 TEO 0.9350
153 7WV 0.9348
154 HZP 0.9346
155 FUM 0.9345
156 VAL 0.9345
157 9EW 0.9341
158 3SK 0.9339
159 Z82 0.9338
160 SER 0.9336
161 9CL 0.9333
162 4CS 0.9330
163 ES6 0.9328
164 MCT 0.9326
165 ASP 0.9326
166 3HB 0.9324
167 GAB 0.9322
168 CYS 0.9319
169 MZW 0.9317
170 BP9 0.9317
171 COI 0.9316
172 69O 0.9315
173 6M4 0.9314
174 NIZ 0.9314
175 3AB 0.9305
176 MWM 0.9304
177 FB2 0.9304
178 HCS 0.9303
179 MXN 0.9303
180 PRI 0.9302
181 DXX 0.9300
182 DGY 0.9296
183 HIU 0.9292
184 ASN 0.9292
185 PMB 0.9292
186 1WD 0.9290
187 1DV 0.9290
188 11S 0.9289
189 270 0.9289
190 AX7 0.9289
191 HBD 0.9289
192 SPA 0.9289
193 ES9 0.9287
194 3NT 0.9287
195 VNJ 0.9286
196 AC5 0.9283
197 1WG 0.9282
198 4JU 0.9281
199 ALO 0.9276
200 9YL 0.9275
201 40E 0.9275
202 0TR 0.9274
203 BEW 0.9271
204 SSN 0.9271
205 3BZ 0.9271
206 IHG 0.9268
207 URF 0.9267
208 5JC 0.9265
209 4ZE 0.9263
210 CAQ 0.9262
211 150 0.9261
212 TZE 0.9260
213 1Y6 0.9260
214 2MI 0.9256
215 ABV 0.9256
216 P72 0.9256
217 HIO 0.9255
218 NK 0.9253
219 2YU 0.9253
220 53C 0.9252
221 HT4 0.9252
222 PLQ 0.9252
223 PAB 0.9251
224 1MC 0.9248
225 9X7 0.9247
226 MAE 0.9246
227 2CQ 0.9244
228 XM0 0.9244
229 1P3 0.9239
230 PYJ 0.9237
231 LER 0.9234
232 826 0.9234
233 5MH 0.9234
234 FPN 0.9233
235 5HN 0.9231
236 1DJ 0.9230
237 MNN 0.9229
238 OXE 0.9228
239 TM7 0.9227
240 DA1 0.9226
241 XBZ 0.9225
242 H4N 0.9225
243 HQE 0.9224
244 BRT 0.9223
245 PBZ 0.9222
246 4MA 0.9221
247 ABU 0.9220
248 2MH 0.9220
249 NXA 0.9219
250 PEL 0.9218
251 PEA 0.9217
252 271 0.9217
253 4HO 0.9217
254 F9P 0.9213
255 TDR 0.9213
256 FK1 0.9213
257 24T 0.9213
258 SW7 0.9208
259 THE 0.9206
260 CXF 0.9205
261 DSN 0.9205
262 IPU 0.9203
263 PCR 0.9201
264 OVV 0.9199
265 RCO 0.9198
266 JAE 0.9197
267 P92 0.9195
268 34A 0.9194
269 WCE 0.9194
270 ABA 0.9191
271 2MP 0.9190
272 IVA 0.9189
273 WBU 0.9187
274 2AC 0.9185
275 MZG 0.9184
276 TPA 0.9183
277 3CH 0.9183
278 XYD 0.9183
279 AHR 0.9182
280 ICP 0.9179
281 PYD 0.9179
282 2RH 0.9178
283 275 0.9178
284 284 0.9175
285 LG4 0.9175
286 45C 0.9174
287 40O 0.9170
288 JYD 0.9166
289 2EZ 0.9166
290 CEE 0.9164
291 174 0.9161
292 NMG 0.9161
293 HBA 0.9158
294 APY 0.9158
295 CXL 0.9158
296 CRS 0.9157
297 25R 0.9157
298 F4Z 0.9152
299 K34 0.9152
300 DAB 0.9151
301 MPD 0.9151
302 5UC 0.9149
303 TLA 0.9149
304 MRY 0.9149
305 PXY 0.9148
306 OHG 0.9145
307 CYH 0.9143
308 43M 0.9139
309 CEJ 0.9139
310 98J 0.9138
311 4JJ 0.9137
312 URA 0.9136
313 HY1 0.9135
314 7CZ 0.9134
315 2CH 0.9134
316 PKU 0.9127
317 HYN 0.9126
318 1DW 0.9125
319 V1L 0.9125
320 03W 0.9123
321 A1U 0.9123
322 DCL 0.9120
323 ADE 0.9119
324 3OC 0.9119
325 8NY 0.9118
326 4CL 0.9118
327 1SA 0.9117
328 25T 0.9117
329 FLA 0.9116
330 3ID 0.9116
331 CYT 0.9115
332 JZ2 0.9112
333 7WG 0.9112
334 LEA 0.9111
335 MWJ 0.9111
336 LG5 0.9110
337 LG3 0.9110
338 7VD 0.9110
339 2IM 0.9109
340 TC7 0.9108
341 RBL 0.9107
342 HAI 0.9107
343 4CH 0.9105
344 QOS 0.9105
345 TH7 0.9103
346 M4T 0.9099
347 JZ0 0.9099
348 1AN 0.9098
349 BVF 0.9098
350 26D 0.9095
351 MBN 0.9095
352 IPH 0.9095
353 OXL 0.9094
354 92Z 0.9092
355 FP2 0.9091
356 PHU 0.9089
357 DE5 0.9087
358 DAS 0.9087
359 XYP 0.9086
360 280 0.9084
361 GOL 0.9084
362 8GF 0.9079
363 KYD 0.9078
364 2AF 0.9077
365 2AP 0.9075
366 XRG 0.9074
367 3AP 0.9074
368 UYA 0.9072
369 L89 0.9072
370 AC6 0.9072
371 S0H 0.9069
372 GXE 0.9069
373 LDU 0.9068
374 DMD 0.9068
375 HRZ 0.9068
376 KKN 0.9068
377 PBE 0.9067
378 TLD 0.9066
379 4VP 0.9065
380 HDA 0.9065
381 9PO 0.9065
382 WOT 0.9065
383 YAN 0.9064
384 XIX 0.9063
385 PAE 0.9062
386 HPA 0.9061
387 4AP 0.9061
388 4JO 0.9060
389 CIZ 0.9060
390 C2N 0.9059
391 E60 0.9055
392 ECE 0.9055
393 B24 0.9054
394 8LG 0.9053
395 A2Q 0.9052
396 93Q 0.9051
397 RB5 0.9051
398 XYL 0.9051
399 4JN 0.9050
400 FPY 0.9050
401 IQ0 0.9047
402 5WV 0.9047
403 HVK 0.9047
404 CP 0.9047
405 27Y 0.9045
406 10L 0.9042
407 SHA 0.9042
408 4HS 0.9041
409 BML 0.9041
410 1DH 0.9040
411 HTS 0.9038
412 DUC 0.9038
413 FW5 0.9035
414 MSF 0.9034
415 76X 0.9034
416 SAR 0.9034
417 OXD 0.9031
418 SRT 0.9027
419 ISN 0.9027
420 ES7 0.9027
421 6MP 0.9027
422 XQ0 0.9026
423 CSS 0.9025
424 BR9 0.9024
425 AKB 0.9023
426 3HA 0.9023
427 7N0 0.9022
428 DCY 0.9021
429 BUA 0.9021
430 SAT 0.9020
431 XLS 0.9019
432 R8A 0.9018
433 9DA 0.9018
434 3OH 0.9016
435 IDH 0.9015
436 BP1 0.9015
437 1P7 0.9015
438 7W4 0.9014
439 ES4 0.9012
440 HMH 0.9007
441 938 0.9006
442 AL0 0.9005
443 PAF 0.9004
444 IUR 0.9003
445 93B 0.9001
446 4JL 0.9001
447 JZ3 0.9001
448 CIG 0.9000
449 BXO 0.8999
450 BUQ 0.8998
451 L60 0.8998
452 3SL 0.8997
453 Y8I 0.8996
454 TMZ 0.8996
455 8K2 0.8995
456 HUI 0.8995
457 2HA 0.8993
458 LGA 0.8992
459 BAL 0.8991
460 PZI 0.8991
461 ODV 0.8990
462 LEU 0.8988
463 8CL 0.8987
464 PAC 0.8985
465 7EX 0.8984
466 XUL 0.8983
467 7WA 0.8983
468 URP 0.8981
469 PGA 0.8979
470 H3M 0.8978
471 7HP 0.8978
472 A09 0.8977
473 2AQ 0.8976
474 GJZ 0.8975
475 4H2 0.8975
476 COU 0.8973
477 9HX 0.8973
478 5B1 0.8970
479 EDG 0.8969
480 HGQ 0.8969
481 BMD 0.8967
482 JB5 0.8966
483 PM6 0.8963
484 ES5 0.8963
485 RMN 0.8962
486 PEP 0.8962
487 51R 0.8962
488 FP1 0.8960
489 4XX 0.8960
490 717 0.8959
491 51F 0.8959
492 ICF 0.8959
493 QY9 0.8959
494 M3T 0.8957
495 4MV 0.8956
496 ITN 0.8954
497 8OZ 0.8953
498 4FS 0.8952
499 03V 0.8951
500 HEW 0.8951
501 L3Q 0.8949
502 B3R 0.8949
503 RHU 0.8946
504 PYR 0.8943
505 PCT 0.8943
506 1AB 0.8943
507 SWD 0.8942
508 OCH 0.8941
509 HPY 0.8941
510 H42 0.8940
511 4JM 0.8940
512 SPV 0.8940
513 6X8 0.8939
514 G3P 0.8937
515 H95 0.8937
516 3F0 0.8937
517 9RW 0.8936
518 2CO 0.8935
519 9TY 0.8933
520 BAE 0.8932
521 FBV 0.8930
522 7MU 0.8929
523 JBK 0.8929
524 4XR 0.8928
525 QWN 0.8928
526 TAR 0.8925
527 285 0.8924
528 R2B 0.8923
529 PEQ 0.8922
530 0V5 0.8922
531 M1A 0.8921
532 URQ 0.8921
533 1SP 0.8919
534 PYM 0.8919
535 7B4 0.8918
536 4NC 0.8918
537 MMU 0.8916
538 SGL 0.8913
539 67N 0.8911
540 278 0.8909
541 TSU 0.8908
542 TB6 0.8907
543 ICC 0.8907
544 173 0.8906
545 N4B 0.8906
546 HHA 0.8906
547 AHB 0.8905
548 GYE 0.8905
549 1SQ 0.8904
550 BTE 0.8904
551 XCZ 0.8902
552 DBH 0.8902
553 3M0 0.8901
554 1LQ 0.8901
555 FCR 0.8900
556 HHN 0.8895
557 MEU 0.8894
558 HDH 0.8894
559 ADZ 0.8892
560 IOL 0.8889
561 5SG 0.8882
562 FB1 0.8881
563 J9T 0.8881
564 0R0 0.8881
565 KOJ 0.8881
566 2RA 0.8880
567 5Q0 0.8880
568 24B 0.8880
569 MET 0.8879
570 JBH 0.8879
571 EQT 0.8878
572 RIB 0.8876
573 HSO 0.8876
574 IOM 0.8875
575 CRN 0.8875
576 SAN 0.8875
577 1GP 0.8873
578 1AC 0.8872
579 TMT 0.8872
580 AAS 0.8872
581 A8C 0.8870
582 HQY 0.8870
583 5IQ 0.8867
584 HMU 0.8867
585 SLP 0.8867
586 DHB 0.8864
587 O72 0.8863
588 ES1 0.8863
589 GUA 0.8863
590 BU4 0.8862
591 NVA 0.8858
592 6CS 0.8857
593 QXW 0.8857
594 FBW 0.8857
595 4P5 0.8856
596 PAH 0.8856
597 FYU 0.8856
598 3MT 0.8856
599 DTU 0.8856
600 ET2 0.8854
601 4YS 0.8854
602 TTO 0.8853
603 DQY 0.8851
604 ZZT 0.8851
605 INO 0.8850
606 OXM 0.8849
607 2DR 0.8848
608 9TZ 0.8847
609 FUC 0.8847
610 N5J 0.8846
611 XX2 0.8845
612 NNO 0.8844
613 2ZV 0.8844
614 1LM 0.8843
615 JPZ 0.8843
616 45L 0.8841
617 2HO 0.8839
618 5RG 0.8838
619 GOJ 0.8838
620 1NP 0.8838
621 BUB 0.8838
622 P9P 0.8837
623 DBB 0.8836
624 286 0.8835
625 36R 0.8832
626 MYJ 0.8832
627 24W 0.8832
628 FBA 0.8832
629 5VM 0.8831
630 MTG 0.8828
631 PIH 0.8828
632 069 0.8827
633 JZ1 0.8826
634 G2H 0.8823
635 4ZC 0.8823
636 3MC 0.8822
637 R67 0.8821
638 FUL 0.8817
639 C2B 0.8816
640 PUT 0.8816
641 FHB 0.8815
642 3HM 0.8814
643 GG6 0.8814
644 PYG 0.8813
645 CLW 0.8813
646 23A 0.8813
647 93K 0.8813
648 2AS 0.8812
649 SMN 0.8809
650 HGY 0.8809
651 VGD 0.8808
652 HHQ 0.8806
653 NSP 0.8805
654 6F0 0.8805
655 4A3 0.8805
656 H8N 0.8802
657 DOB 0.8802
658 ES0 0.8801
659 IP0 0.8801
660 6M1 0.8800
661 GRE 0.8800
662 HH5 0.8798
663 Q88 0.8797
664 3XX 0.8797
665 FA0 0.8797
666 JLZ 0.8797
667 MZY 0.8795
668 BHA 0.8795
669 4XH 0.8795
670 3PF 0.8794
671 OPE 0.8792
672 4MZ 0.8791
673 LAC 0.8789
674 XYS 0.8788
675 FCN 0.8785
676 47J 0.8785
677 MBD 0.8785
678 HIS 0.8783
679 FBB 0.8783
680 CWM 0.8783
681 1LN 0.8783
682 4M0 0.8781
683 LLQ 0.8780
684 ETX 0.8780
685 MMZ 0.8780
686 QSB 0.8779
687 YHO 0.8779
688 BAQ 0.8779
689 IHB 0.8776
690 DFU 0.8776
691 4JT 0.8775
692 RIP 0.8774
693 ATQ 0.8773
694 ABE 0.8773
695 I3A 0.8771
696 MR3 0.8771
697 K2T 0.8769
698 3Z7 0.8767
699 5NU 0.8767
700 IZC 0.8767
701 DTI 0.8766
702 2D0 0.8766
703 264 0.8765
704 GTQ 0.8765
705 2OP 0.8765
706 ES2 0.8764
707 HH8 0.8764
708 RNS 0.8762
709 FBS 0.8760
710 AKG 0.8760
711 JA8 0.8757
712 ALA 0.8757
713 5OB 0.8756
714 AMT 0.8753
715 9TW 0.8751
716 HGW 0.8751
717 ITU 0.8749
718 4J8 0.8747
719 GUN 0.8747
720 FFP 0.8745
721 3FA 0.8745
722 PIS 0.8745
723 1MZ 0.8744
724 6GU 0.8744
725 3TR 0.8743
726 5CU 0.8742
727 OXC 0.8742
728 GMN 0.8740
729 2MZ 0.8740
730 HOW 0.8740
731 192 0.8739
732 1P8 0.8738
733 9DG 0.8737
734 C2A 0.8737
735 1CB 0.8734
736 0MK 0.8734
737 5KX 0.8732
738 G3E 0.8727
739 CHT 0.8727
740 MB3 0.8726
741 AGK 0.8726
742 CHB 0.8725
743 A2F 0.8725
744 AEF 0.8724
745 3SS 0.8724
746 2PN 0.8724
747 AZA 0.8723
748 7HQ 0.8722
749 8H8 0.8722
750 CFP 0.8721
751 5MK 0.8719
752 DAL 0.8718
753 5QY 0.8718
754 2C9 0.8717
755 PE9 0.8716
756 3GR 0.8711
757 TIU 0.8711
758 DX4 0.8710
759 FLM 0.8710
760 5Y9 0.8710
761 PPV 0.8710
762 SC2 0.8709
763 JZ6 0.8708
764 BCP 0.8708
765 GBL 0.8705
766 2AI 0.8704
767 HX3 0.8703
768 4WL 0.8702
769 BZ3 0.8701
770 BOA 0.8701
771 HV2 0.8699
772 5M0 0.8698
773 BUO 0.8696
774 EGD 0.8695
775 54G 0.8695
776 BYZ 0.8694
777 2MY 0.8692
778 IFM 0.8691
779 A3B 0.8690
780 OXZ 0.8688
781 1XN 0.8688
782 D48 0.8687
783 3CE 0.8686
784 ES3 0.8686
785 IGA 0.8685
786 DOR 0.8685
787 0CU 0.8684
788 GIF 0.8683
789 MR1 0.8683
790 SX1 0.8679
791 4FA 0.8678
792 3DO 0.8677
793 YRL 0.8677
794 SE2 0.8677
795 XAN 0.8676
796 290 0.8674
797 J5I 0.8673
798 ARB 0.8673
799 ORO 0.8672
800 DS0 0.8671
801 RJY 0.8670
802 JFJ 0.8670
803 13P 0.8670
804 GLU 0.8669
805 SD4 0.8667
806 DHR 0.8666
807 6AP 0.8662
808 LT2 0.8661
809 1XM 0.8658
810 6MH 0.8658
811 4NM 0.8657
812 261 0.8650
813 5MP 0.8646
814 AZG 0.8645
815 LZM 0.8637
816 42A 0.8636
817 2CM 0.8635
818 OTR 0.8634
819 F5B 0.8634
820 1M2 0.8633
821 CMS 0.8632
822 FJO 0.8632
823 M2H 0.8631
824 D1X 0.8628
825 YH7 0.8627
826 3MH 0.8626
827 R8S 0.8620
828 OVP 0.8620
829 NEQ 0.8612
830 MTD 0.8612
831 DFB 0.8610
832 PIM 0.8608
833 AW5 0.8602
834 2HQ 0.8602
835 AZF 0.8601
836 GLL 0.8599
837 FCA 0.8598
838 Z6J 0.8597
839 ALQ 0.8597
840 PYZ 0.8596
841 141 0.8592
842 T6C 0.8592
843 FUF 0.8590
844 DUB 0.8589
845 EKZ 0.8586
846 TM4 0.8581
847 86J 0.8578
848 XIY 0.8574
849 3FH 0.8573
850 RNT 0.8570
851 POP 0.8570
852 ACH 0.8566
853 0W8 0.8558
854 KUF 0.8556
855 0P6 0.8550
856 GP9 0.8548
857 RBJ 0.8544
858 9X6 0.8543
859 DHQ 0.8531
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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