Receptor
PDB id Resolution Class Description Source Keywords
2ANZ 1.75 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE IN COMPLEX WITH 2,6-DIAMINOPYRIDINE SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE PEROXIDASE MODEL BINDING SITE
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
26D A:500;
Valid;
none;
Kd = 0.06 mM
109.129 C5 H7 N3 c1cc(...
HEM A:400;
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: 26D; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 26D 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 26D; Similar ligands found: 829
No: Ligand Similarity coefficient
1 RCO 1.0000
2 DUC 1.0000
3 284 1.0000
4 3CH 1.0000
5 BVF 1.0000
6 LG5 1.0000
7 URA 1.0000
8 CYT 1.0000
9 8GF 1.0000
10 LG3 1.0000
11 CRS 1.0000
12 IDH 0.9994
13 RP7 0.9988
14 HPY 0.9985
15 CIG 0.9984
16 B3R 0.9960
17 HEW 0.9957
18 4H2 0.9951
19 M3T 0.9928
20 HGQ 0.9923
21 XYS 0.9887
22 XYP 0.9866
23 HAI 0.9850
24 HHQ 0.9839
25 RSF 0.9830
26 CYH 0.9810
27 CXL 0.9810
28 H3M 0.9796
29 24T 0.9790
30 2DR 0.9778
31 A2Q 0.9775
32 3ZQ 0.9769
33 HYN 0.9768
34 URF 0.9752
35 IPH 0.9748
36 L60 0.9740
37 V1L 0.9738
38 WDL 0.9736
39 CEJ 0.9734
40 2IM 0.9733
41 40O 0.9730
42 6UA 0.9726
43 WBU 0.9720
44 9PO 0.9718
45 285 0.9717
46 MCT 0.9715
47 5ZE 0.9710
48 TDR 0.9704
49 AX2 0.9703
50 3AY 0.9701
51 3MC 0.9701
52 7EX 0.9699
53 1MC 0.9698
54 1XX 0.9694
55 MWM 0.9693
56 13X 0.9689
57 275 0.9688
58 93B 0.9688
59 MBD 0.9685
60 3FA 0.9684
61 FFP 0.9684
62 E60 0.9684
63 4ZE 0.9683
64 2AC 0.9681
65 GMN 0.9677
66 PYG 0.9677
67 PYD 0.9677
68 ICP 0.9677
69 BR8 0.9676
70 4HO 0.9674
71 2C9 0.9672
72 2MP 0.9671
73 2ZX 0.9667
74 A1U 0.9665
75 34A 0.9664
76 XBZ 0.9662
77 282 0.9661
78 MBN 0.9661
79 QOS 0.9661
80 FLM 0.9660
81 3AP 0.9659
82 5AN 0.9659
83 HRZ 0.9656
84 XYD 0.9655
85 8LG 0.9654
86 HVK 0.9650
87 2AP 0.9650
88 2MY 0.9649
89 5UC 0.9640
90 2YU 0.9640
91 4AP 0.9639
92 WOT 0.9635
93 4CL 0.9633
94 ERH 0.9632
95 LGA 0.9630
96 CAQ 0.9630
97 L89 0.9628
98 92Z 0.9627
99 6MH 0.9624
100 93Q 0.9621
101 TH0 0.9619
102 76X 0.9619
103 3CE 0.9619
104 43M 0.9618
105 1AN 0.9616
106 4JJ 0.9613
107 FP2 0.9610
108 25T 0.9608
109 TM4 0.9608
110 2AF 0.9607
111 C2A 0.9605
112 JZ2 0.9605
113 BEW 0.9604
114 HT4 0.9602
115 2CM 0.9602
116 27Y 0.9596
117 DUB 0.9596
118 TM7 0.9593
119 BR9 0.9593
120 DMG 0.9592
121 8CL 0.9590
122 4DX 0.9590
123 FPY 0.9586
124 MZG 0.9585
125 47J 0.9585
126 XIX 0.9585
127 4JO 0.9583
128 GXE 0.9582
129 MB3 0.9578
130 AHR 0.9577
131 280 0.9572
132 5MH 0.9569
133 ECE 0.9568
134 OXE 0.9568
135 5JC 0.9564
136 TTO 0.9562
137 2CH 0.9561
138 MWJ 0.9561
139 3MH 0.9560
140 JZ0 0.9559
141 MLT 0.9557
142 IUR 0.9554
143 ICC 0.9554
144 HSL 0.9553
145 AMC 0.9551
146 SYN 0.9548
147 286 0.9548
148 938 0.9547
149 HHN 0.9545
150 HTS 0.9541
151 DTL 0.9534
152 NK 0.9532
153 DTI 0.9529
154 C5J 0.9525
155 TLD 0.9506
156 RIB 0.9504
157 FPI 0.9504
158 Z6J 0.9495
159 4AX 0.9493
160 278 0.9493
161 JZ3 0.9493
162 TMT 0.9492
163 JZ1 0.9491
164 NBE 0.9490
165 HPA 0.9486
166 9HX 0.9485
167 2KT 0.9484
168 KSW 0.9474
169 ABN 0.9473
170 ADE 0.9468
171 9DA 0.9466
172 IFM 0.9465
173 APY 0.9464
174 MLI 0.9462
175 1MR 0.9460
176 DFB 0.9459
177 AGK 0.9459
178 PIH 0.9455
179 LXC 0.9455
180 TCZ 0.9454
181 MLA 0.9454
182 MLM 0.9454
183 Y8I 0.9453
184 7HP 0.9451
185 23W 0.9451
186 PYF 0.9451
187 6X8 0.9448
188 3Z7 0.9446
189 OHG 0.9444
190 6MP 0.9444
191 94N 0.9443
192 HBX 0.9437
193 PY7 0.9437
194 0R0 0.9429
195 0MK 0.9428
196 HGW 0.9428
197 MMZ 0.9425
198 M2H 0.9416
199 GVH 0.9413
200 J1Z 0.9413
201 OXZ 0.9412
202 MZ0 0.9410
203 0R1 0.9409
204 RIP 0.9408
205 ARA 0.9407
206 HY3 0.9407
207 DGY 0.9406
208 DMI 0.9406
209 0CT 0.9406
210 1AB 0.9404
211 YAN 0.9403
212 4XX 0.9402
213 1PT 0.9401
214 LDU 0.9400
215 GBD 0.9400
216 BZI 0.9399
217 23A 0.9398
218 JIF 0.9397
219 R8S 0.9396
220 GAG 0.9394
221 2XX 0.9392
222 P2D 0.9388
223 LZ1 0.9387
224 DFU 0.9386
225 GIF 0.9384
226 BZF 0.9382
227 10L 0.9381
228 4JP 0.9381
229 ES4 0.9379
230 03W 0.9379
231 DSN 0.9379
232 IND 0.9378
233 PYJ 0.9377
234 7WA 0.9377
235 MPI 0.9375
236 DEN 0.9375
237 OXQ 0.9374
238 9CL 0.9374
239 NEQ 0.9374
240 BVC 0.9372
241 3XX 0.9372
242 PM6 0.9370
243 FUC 0.9368
244 TMZ 0.9367
245 A3B 0.9367
246 DBB 0.9367
247 BTE 0.9366
248 2RA 0.9365
249 BAQ 0.9364
250 GBL 0.9363
251 0TR 0.9362
252 IDM 0.9360
253 R2B 0.9360
254 64K 0.9358
255 YHO 0.9358
256 DAB 0.9357
257 HUI 0.9355
258 3PY 0.9354
259 6SP 0.9354
260 HIU 0.9353
261 SER 0.9352
262 R1X 0.9352
263 BP1 0.9350
264 AZF 0.9349
265 CYS 0.9348
266 THR 0.9348
267 5AC 0.9348
268 MRY 0.9343
269 LER 0.9342
270 FW5 0.9342
271 EDG 0.9337
272 SMB 0.9334
273 4JU 0.9334
274 1DW 0.9334
275 DXX 0.9334
276 ABE 0.9329
277 GOL 0.9325
278 O7U 0.9324
279 4XR 0.9324
280 ARB 0.9323
281 NMJ 0.9322
282 FUL 0.9318
283 H76 0.9318
284 1DH 0.9309
285 2A7 0.9307
286 F05 0.9307
287 PLQ 0.9305
288 KG7 0.9304
289 4ZC 0.9304
290 GXV 0.9303
291 PRI 0.9303
292 JZ9 0.9303
293 7MH 0.9303
294 MZW 0.9302
295 NVI 0.9301
296 1CB 0.9301
297 T6C 0.9296
298 39J 0.9296
299 7CZ 0.9294
300 9EW 0.9293
301 35C 0.9289
302 L3Q 0.9289
303 60P 0.9286
304 S76 0.9283
305 F81 0.9280
306 P3K 0.9280
307 MAK 0.9278
308 HLR 0.9277
309 2MH 0.9275
310 IMR 0.9273
311 KOJ 0.9271
312 FCA 0.9269
313 B24 0.9266
314 BVG 0.9264
315 HVQ 0.9264
316 FUF 0.9263
317 ZZ3 0.9262
318 ATQ 0.9261
319 HQE 0.9261
320 12M 0.9257
321 DA1 0.9255
322 PCR 0.9253
323 6HQ 0.9252
324 3MT 0.9249
325 150 0.9249
326 MZY 0.9246
327 BZX 0.9244
328 PXY 0.9244
329 SVN 0.9241
330 FPN 0.9241
331 1WG 0.9239
332 6AI 0.9235
333 ABA 0.9235
334 AMT 0.9234
335 OAA 0.9233
336 LG4 0.9233
337 1DU 0.9224
338 TAR 0.9222
339 25R 0.9220
340 R8A 0.9216
341 JFD 0.9214
342 98J 0.9213
343 YTB 0.9206
344 SAL 0.9204
345 2PC 0.9201
346 PRO 0.9201
347 ALO 0.9200
348 9TY 0.9199
349 FOA 0.9197
350 5MB 0.9194
351 0RW 0.9192
352 SEJ 0.9191
353 3NT 0.9190
354 3U4 0.9189
355 2AI 0.9185
356 8GC 0.9185
357 5H1 0.9184
358 2K4 0.9183
359 HOW 0.9181
360 FUB 0.9180
361 4SV 0.9178
362 2EZ 0.9177
363 1MZ 0.9177
364 2MZ 0.9177
365 6M4 0.9176
366 VAL 0.9176
367 2CQ 0.9175
368 MR3 0.9173
369 TZE 0.9168
370 PCA 0.9168
371 BE2 0.9168
372 3TR 0.9167
373 4CS 0.9166
374 ES6 0.9165
375 PRS 0.9163
376 14O 0.9163
377 ES9 0.9163
378 TBP 0.9162
379 SGL 0.9160
380 TMH 0.9157
381 4JN 0.9155
382 HYP 0.9153
383 32O 0.9152
384 4HS 0.9151
385 UY7 0.9151
386 DCY 0.9150
387 BP9 0.9148
388 265 0.9148
389 5MI 0.9148
390 F60 0.9147
391 F4Z 0.9144
392 C2N 0.9144
393 BML 0.9143
394 PYC 0.9142
395 CRN 0.9142
396 9X7 0.9142
397 URQ 0.9141
398 MFB 0.9141
399 9YL 0.9141
400 FCB 0.9139
401 1P3 0.9135
402 FPK 0.9132
403 5MP 0.9131
404 4MZ 0.9131
405 TFB 0.9130
406 45C 0.9129
407 3OC 0.9129
408 FP1 0.9129
409 51F 0.9127
410 AUD 0.9125
411 4CH 0.9122
412 TZC 0.9118
413 RUU 0.9118
414 FYU 0.9117
415 YCP 0.9116
416 11S 0.9115
417 5KX 0.9114
418 AAE 0.9110
419 ITN 0.9109
420 1SP 0.9108
421 UYA 0.9107
422 CIZ 0.9107
423 LMR 0.9107
424 TC7 0.9107
425 5HN 0.9106
426 5RG 0.9103
427 6LW 0.9102
428 JBN 0.9101
429 ASP 0.9100
430 6PC 0.9099
431 BNZ 0.9098
432 GLC 0.9098
433 AZA 0.9097
434 3AB 0.9097
435 TP5 0.9095
436 3DM 0.9094
437 AKB 0.9094
438 PZA 0.9094
439 G6D 0.9093
440 3GR 0.9092
441 KIV 0.9092
442 JZ6 0.9090
443 OVV 0.9089
444 ASO 0.9089
445 25W 0.9089
446 1WD 0.9088
447 A2F 0.9087
448 GUN 0.9087
449 H4N 0.9086
450 VGL 0.9085
451 B20 0.9084
452 6AP 0.9082
453 GAB 0.9082
454 BEZ 0.9081
455 HX3 0.9079
456 OXM 0.9078
457 GOO 0.9077
458 IGA 0.9076
459 P1R 0.9076
460 53C 0.9075
461 ASN 0.9075
462 FK1 0.9073
463 XAN 0.9072
464 3HB 0.9070
465 MEU 0.9070
466 NCA 0.9069
467 3ZS 0.9067
468 HZP 0.9064
469 261 0.9064
470 QUZ 0.9064
471 3DO 0.9060
472 LCN 0.9060
473 3BZ 0.9058
474 AZG 0.9057
475 290 0.9056
476 NBZ 0.9056
477 6CS 0.9054
478 IOL 0.9053
479 KPL 0.9053
480 SWD 0.9052
481 9DG 0.9052
482 JAB 0.9052
483 RM4 0.9051
484 PBE 0.9050
485 BEN 0.9049
486 HMH 0.9049
487 6M9 0.9048
488 DIE 0.9046
489 WCE 0.9046
490 C21 0.9046
491 LRH 0.9045
492 G2F 0.9044
493 YH7 0.9043
494 ADK 0.9043
495 I3A 0.9041
496 JAE 0.9040
497 OXD 0.9040
498 3SK 0.9039
499 0PY 0.9038
500 BAM 0.9038
501 8NY 0.9035
502 TLA 0.9034
503 273 0.9033
504 IOM 0.9032
505 VNJ 0.9031
506 PHZ 0.9029
507 OXL 0.9028
508 192 0.9028
509 BYZ 0.9027
510 NIO 0.9026
511 F0J 0.9026
512 CFP 0.9025
513 4HM 0.9025
514 XQG 0.9023
515 6GU 0.9022
516 JKE 0.9021
517 ES3 0.9018
518 141 0.9017
519 1XM 0.9016
520 IP0 0.9016
521 Q88 0.9016
522 5M0 0.9016
523 BOA 0.9015
524 M1E 0.9013
525 GTQ 0.9012
526 3MA 0.9012
527 G4D 0.9010
528 F5B 0.9010
529 DX4 0.9008
530 BRT 0.9007
531 NPY 0.9006
532 IT2 0.9004
533 SMV 0.9002
534 HSE 0.9001
535 NCM 0.9000
536 54G 0.8997
537 JFJ 0.8996
538 UNU 0.8995
539 NOJ 0.8995
540 RNS 0.8994
541 2CK 0.8994
542 69O 0.8991
543 HY1 0.8991
544 KYD 0.8990
545 MRZ 0.8989
546 BSX 0.8989
547 7HQ 0.8989
548 JZ4 0.8988
549 GYE 0.8987
550 DMJ 0.8987
551 DAL 0.8987
552 PYR 0.8983
553 EUG 0.8977
554 4M4 0.8977
555 NTN 0.8976
556 PYZ 0.8976
557 270 0.8975
558 FLA 0.8975
559 HMU 0.8974
560 HBA 0.8974
561 AX7 0.8974
562 QSC 0.8972
563 ZZT 0.8971
564 GIO 0.8969
565 HGY 0.8968
566 NSP 0.8967
567 V55 0.8967
568 7WV 0.8966
569 HH5 0.8963
570 PRY 0.8963
571 P92 0.8961
572 2OP 0.8960
573 RB5 0.8960
574 JZ5 0.8960
575 SJ5 0.8958
576 URP 0.8956
577 DTU 0.8956
578 BCP 0.8953
579 4SD 0.8953
580 1AC 0.8952
581 HIO 0.8952
582 M58 0.8951
583 5MK 0.8949
584 24B 0.8949
585 0CU 0.8946
586 ES0 0.8945
587 M1A 0.8944
588 4VP 0.8943
589 IFL 0.8942
590 CWM 0.8940
591 2MI 0.8939
592 7WG 0.8938
593 SS2 0.8937
594 CP 0.8937
595 LAC 0.8935
596 SSN 0.8935
597 2LP 0.8935
598 D2P 0.8932
599 9TZ 0.8930
600 RSO 0.8927
601 TH7 0.8926
602 ALA 0.8926
603 XM0 0.8926
604 NOY 0.8925
605 IQ0 0.8924
606 1XN 0.8924
607 PAF 0.8923
608 NVA 0.8921
609 SS1 0.8917
610 14J 0.8914
611 AC0 0.8914
612 SX1 0.8913
613 ALQ 0.8913
614 HHA 0.8910
615 GAL 0.8909
616 RAM 0.8909
617 DGJ 0.8909
618 NAK 0.8907
619 8EZ 0.8905
620 260 0.8902
621 II6 0.8896
622 3F0 0.8896
623 4JL 0.8894
624 NIS 0.8893
625 ADZ 0.8891
626 HCS 0.8883
627 PYM 0.8883
628 JBK 0.8881
629 HSM 0.8875
630 4PW 0.8875
631 XXR 0.8873
632 RM1 0.8873
633 BUO 0.8872
634 LZM 0.8871
635 MAN 0.8871
636 G3F 0.8869
637 XBT 0.8869
638 N5J 0.8868
639 DPR 0.8866
640 1SQ 0.8866
641 5Q0 0.8865
642 HBS 0.8864
643 XUL 0.8864
644 ES1 0.8863
645 BAE 0.8863
646 CSS 0.8862
647 FAN 0.8861
648 1LQ 0.8860
649 1P7 0.8860
650 ABV 0.8857
651 JPZ 0.8853
652 EXO 0.8853
653 BGC 0.8853
654 1LM 0.8852
655 5IQ 0.8850
656 1NP 0.8846
657 I2M 0.8846
658 4YS 0.8845
659 40E 0.8845
660 FBA 0.8844
661 SR1 0.8844
662 FRU 0.8843
663 5B1 0.8842
664 7B4 0.8842
665 BMA 0.8841
666 3M0 0.8840
667 42A 0.8840
668 O72 0.8839
669 PHB 0.8839
670 IHG 0.8838
671 67N 0.8837
672 5SG 0.8836
673 MAE 0.8836
674 NXA 0.8835
675 PBC 0.8835
676 DBH 0.8835
677 JBH 0.8834
678 5Y9 0.8833
679 HQY 0.8829
680 CEE 0.8825
681 82I 0.8824
682 3HA 0.8824
683 IPZ 0.8823
684 MSN 0.8823
685 3OH 0.8821
686 PAE 0.8820
687 ORO 0.8819
688 XLS 0.8815
689 2ZV 0.8814
690 ICN 0.8813
691 DAS 0.8808
692 PEL 0.8807
693 2TQ 0.8807
694 SIN 0.8800
695 OXC 0.8798
696 N7P 0.8796
697 HH8 0.8795
698 IF7 0.8794
699 DOR 0.8792
700 KBG 0.8791
701 5OB 0.8791
702 GCS 0.8787
703 UGC 0.8786
704 5NU 0.8786
705 C2B 0.8786
706 N8P 0.8786
707 JBE 0.8783
708 24W 0.8779
709 2FG 0.8778
710 ILE 0.8778
711 OVM 0.8773
712 271 0.8773
713 6JN 0.8772
714 SF9 0.8772
715 8S0 0.8769
716 3MB 0.8768
717 TEO 0.8765
718 ARW 0.8759
719 1LN 0.8757
720 SNE 0.8754
721 8H8 0.8754
722 4JM 0.8753
723 GLA 0.8752
724 6F0 0.8751
725 EV0 0.8751
726 GAF 0.8747
727 9X6 0.8746
728 QWN 0.8746
729 AC5 0.8745
730 7W4 0.8744
731 GRE 0.8741
732 GXL 0.8738
733 4XH 0.8735
734 PEA 0.8734
735 DPF 0.8731
736 BZ3 0.8729
737 JB5 0.8727
738 BNS 0.8726
739 4NC 0.8725
740 ALL 0.8725
741 ODV 0.8723
742 AS3 0.8722
743 MMU 0.8718
744 H8N 0.8718
745 OW4 0.8717
746 2H5 0.8717
747 T2C 0.8712
748 ISN 0.8711
749 9MG 0.8706
750 CXF 0.8704
751 SAR 0.8703
752 GLU 0.8703
753 5WV 0.8702
754 QXW 0.8702
755 03V 0.8701
756 COU 0.8700
757 INS 0.8699
758 EQT 0.8698
759 7NI 0.8696
760 KKN 0.8694
761 4FS 0.8693
762 GIV 0.8692
763 BAL 0.8692
764 MR1 0.8691
765 SOE 0.8689
766 2AQ 0.8689
767 5CU 0.8684
768 ES5 0.8683
769 149 0.8683
770 34D 0.8681
771 FQI 0.8680
772 TF4 0.8679
773 717 0.8677
774 PZI 0.8669
775 AW5 0.8668
776 DMD 0.8666
777 G5V 0.8666
778 TIU 0.8666
779 1DQ 0.8663
780 XQ0 0.8662
781 42C 0.8662
782 BHO 0.8655
783 H42 0.8653
784 ISE 0.8653
785 5VM 0.8647
786 2D0 0.8645
787 XRG 0.8644
788 DCD 0.8642
789 TB6 0.8640
790 DHB 0.8639
791 EGD 0.8637
792 3ID 0.8637
793 D1X 0.8631
794 DYA 0.8630
795 BUA 0.8625
796 PKU 0.8623
797 BHA 0.8620
798 Q6T 0.8620
799 4M0 0.8618
800 INO 0.8617
801 B53 0.8617
802 DOB 0.8614
803 UNC 0.8613
804 MYJ 0.8612
805 P9P 0.8610
806 FOT 0.8610
807 VGD 0.8609
808 XCZ 0.8608
809 3HM 0.8605
810 2AL 0.8605
811 FDB 0.8603
812 51R 0.8599
813 FA0 0.8596
814 36R 0.8595
815 6M1 0.8591
816 1P8 0.8590
817 CHT 0.8586
818 8IG 0.8585
819 93K 0.8582
820 4A3 0.8580
821 B55 0.8579
822 NPO 0.8575
823 HLT 0.8574
824 SRT 0.8569
825 S0H 0.8559
826 ET2 0.8553
827 KIA 0.8544
828 C2U 0.8537
829 BTY 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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