Receptor
PDB id Resolution Class Description Source Keywords
2EUP 1.4 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE (CCP) IN COMPLEX WITH 2-AMINO-5- PICOLINE SACCHAROMYCES CEREVISIAE ENGINEERED LIGAND 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:295;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
LG4 A:400;
Valid;
none;
Kd = 0.04 mM
108.141 C6 H8 N2 Cc1cc...
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: LG4; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 LG4 1 1
2 DA1 0.481481 0.863636
Similar Ligands (3D)
Ligand no: 1; Ligand: LG4; Similar ligands found: 786
No: Ligand Similarity coefficient
1 BML 1.0000
2 4JU 1.0000
3 4JN 1.0000
4 4HS 1.0000
5 PXY 1.0000
6 4CH 1.0000
7 FPN 1.0000
8 PLQ 1.0000
9 25R 1.0000
10 HQE 1.0000
11 PCR 1.0000
12 2MH 1.0000
13 IOL 0.9944
14 CYH 0.9795
15 HBA 0.9782
16 4XX 0.9773
17 CXL 0.9734
18 25T 0.9726
19 FPI 0.9718
20 HAI 0.9712
21 IPH 0.9707
22 1MC 0.9703
23 PHB 0.9702
24 282 0.9686
25 1DH 0.9684
26 V1L 0.9677
27 AMC 0.9677
28 MBN 0.9671
29 FPY 0.9668
30 TDR 0.9667
31 GXE 0.9666
32 ICP 0.9662
33 PYD 0.9662
34 4VP 0.9659
35 TH0 0.9656
36 1PT 0.9653
37 4AP 0.9650
38 3AP 0.9644
39 WOT 0.9644
40 2AP 0.9639
41 HVK 0.9639
42 A2Q 0.9637
43 8CL 0.9635
44 TMZ 0.9634
45 4HO 0.9633
46 HRZ 0.9630
47 H8N 0.9628
48 PYF 0.9625
49 5UC 0.9624
50 MCT 0.9623
51 LGA 0.9622
52 URF 0.9621
53 XBZ 0.9617
54 5MH 0.9617
55 HBX 0.9613
56 J1Z 0.9610
57 WBU 0.9606
58 4JO 0.9606
59 9PO 0.9604
60 XYD 0.9604
61 2AC 0.9602
62 JZ2 0.9602
63 2IM 0.9601
64 A1U 0.9597
65 BP9 0.9597
66 275 0.9596
67 4CL 0.9588
68 4JJ 0.9584
69 MZW 0.9583
70 TMT 0.9575
71 ECE 0.9574
72 43M 0.9573
73 4ZE 0.9572
74 BR9 0.9569
75 5JC 0.9569
76 SYN 0.9567
77 34A 0.9566
78 2MP 0.9566
79 ABN 0.9564
80 IUR 0.9562
81 MWM 0.9560
82 4JP 0.9556
83 HYN 0.9555
84 TTO 0.9555
85 QOS 0.9553
86 MZG 0.9553
87 IND 0.9551
88 GVH 0.9548
89 XYP 0.9548
90 0R1 0.9546
91 DEN 0.9545
92 CEJ 0.9544
93 LZ1 0.9544
94 MWJ 0.9543
95 MPI 0.9540
96 NK 0.9539
97 27Y 0.9539
98 4JL 0.9538
99 8H8 0.9536
100 BZF 0.9534
101 BZI 0.9530
102 HHN 0.9527
103 HT4 0.9522
104 FBA 0.9520
105 XIX 0.9520
106 TM7 0.9514
107 LXC 0.9512
108 LDU 0.9510
109 MAK 0.9499
110 0CT 0.9498
111 PY7 0.9497
112 FYU 0.9493
113 HGW 0.9491
114 PIH 0.9489
115 C2B 0.9486
116 NBE 0.9481
117 VAL 0.9473
118 7EX 0.9471
119 CRS 0.9470
120 IDM 0.9463
121 2YU 0.9462
122 93B 0.9460
123 RSF 0.9457
124 4JM 0.9455
125 TLD 0.9454
126 OHG 0.9452
127 24T 0.9450
128 Y8I 0.9448
129 DMG 0.9440
130 1MR 0.9440
131 6AI 0.9437
132 MZ0 0.9436
133 KIV 0.9435
134 IDH 0.9432
135 0R0 0.9427
136 BZX 0.9422
137 L60 0.9420
138 R2B 0.9406
139 HIU 0.9401
140 CYS 0.9399
141 2K4 0.9395
142 938 0.9394
143 8LG 0.9392
144 280 0.9391
145 14O 0.9390
146 CAQ 0.9389
147 2KT 0.9389
148 5H1 0.9389
149 F60 0.9388
150 5MI 0.9385
151 MLA 0.9383
152 BEW 0.9377
153 NVI 0.9376
154 5MB 0.9373
155 93Q 0.9372
156 AX7 0.9371
157 270 0.9371
158 E60 0.9371
159 L89 0.9370
160 1AN 0.9368
161 FP2 0.9364
162 2CH 0.9363
163 APY 0.9362
164 XYS 0.9358
165 3MC 0.9358
166 EDG 0.9356
167 HMH 0.9355
168 11S 0.9355
169 P2D 0.9353
170 HPY 0.9352
171 2MI 0.9352
172 HTS 0.9352
173 9CL 0.9351
174 ICC 0.9348
175 JZ9 0.9346
176 JAE 0.9346
177 RCO 0.9345
178 PYG 0.9345
179 ES9 0.9345
180 P92 0.9343
181 DGY 0.9343
182 PRO 0.9342
183 4XR 0.9341
184 DSN 0.9339
185 1AB 0.9339
186 JZ3 0.9338
187 PYJ 0.9337
188 3PY 0.9332
189 NPO 0.9327
190 3ZQ 0.9325
191 92Z 0.9324
192 H4N 0.9321
193 MBD 0.9320
194 FK1 0.9319
195 FFP 0.9318
196 URA 0.9317
197 GMN 0.9316
198 3FA 0.9315
199 LG3 0.9314
200 FOA 0.9310
201 6X8 0.9309
202 AHR 0.9307
203 TH7 0.9304
204 JZ0 0.9301
205 MLI 0.9300
206 CYT 0.9294
207 HGQ 0.9293
208 ZZT 0.9290
209 B24 0.9290
210 2C9 0.9289
211 BVF 0.9286
212 KG7 0.9286
213 9X7 0.9286
214 3CH 0.9282
215 2AF 0.9282
216 BEN 0.9281
217 QUZ 0.9281
218 23A 0.9280
219 FLM 0.9278
220 24B 0.9277
221 MAE 0.9276
222 BEZ 0.9276
223 ABV 0.9276
224 MRY 0.9275
225 23W 0.9274
226 8NY 0.9273
227 2MY 0.9273
228 284 0.9269
229 BAM 0.9269
230 NIO 0.9262
231 8GF 0.9261
232 NBZ 0.9259
233 1DU 0.9259
234 DUC 0.9259
235 3CE 0.9256
236 OAA 0.9255
237 DXX 0.9254
238 NPY 0.9250
239 NSP 0.9250
240 OXE 0.9243
241 DTU 0.9241
242 THR 0.9238
243 F81 0.9236
244 26D 0.9233
245 PYC 0.9231
246 SIN 0.9230
247 NCA 0.9228
248 LG5 0.9228
249 PZA 0.9222
250 JIF 0.9219
251 2CM 0.9217
252 NTN 0.9212
253 TM4 0.9210
254 PCA 0.9209
255 RIB 0.9201
256 6PC 0.9198
257 OXQ 0.9196
258 YCP 0.9196
259 HEW 0.9193
260 0MK 0.9192
261 TFB 0.9192
262 0TR 0.9191
263 76X 0.9190
264 HSL 0.9188
265 JFD 0.9188
266 4H2 0.9188
267 1Y6 0.9187
268 AMT 0.9182
269 H3M 0.9182
270 P72 0.9181
271 ALO 0.9181
272 265 0.9181
273 M3T 0.9179
274 PBZ 0.9179
275 RIP 0.9179
276 BVG 0.9178
277 2PC 0.9177
278 40O 0.9177
279 PAB 0.9177
280 VGL 0.9177
281 CIG 0.9177
282 HBD 0.9176
283 TP5 0.9175
284 C5J 0.9175
285 SER 0.9174
286 286 0.9173
287 FUL 0.9173
288 BAQ 0.9170
289 KSW 0.9170
290 7CZ 0.9170
291 HMU 0.9170
292 826 0.9169
293 XM0 0.9169
294 UNU 0.9167
295 KOJ 0.9166
296 GBD 0.9166
297 B3R 0.9165
298 RSO 0.9161
299 6MH 0.9160
300 MMZ 0.9159
301 BVC 0.9157
302 4MA 0.9157
303 JBN 0.9155
304 5AC 0.9154
305 3MT 0.9154
306 MB3 0.9152
307 273 0.9152
308 35C 0.9151
309 GAG 0.9148
310 ARB 0.9147
311 3MH 0.9146
312 PZM 0.9145
313 HX3 0.9145
314 YHO 0.9143
315 HVQ 0.9143
316 BE7 0.9143
317 T6C 0.9141
318 DUB 0.9137
319 MMU 0.9136
320 7MH 0.9135
321 Z82 0.9133
322 3DM 0.9132
323 F05 0.9132
324 174 0.9131
325 LMR 0.9130
326 2HA 0.9130
327 GOL 0.9129
328 1CB 0.9126
329 M1A 0.9125
330 5MP 0.9125
331 HHQ 0.9124
332 FQI 0.9124
333 4MZ 0.9123
334 MR3 0.9123
335 TZC 0.9123
336 DFU 0.9118
337 4SV 0.9117
338 MEU 0.9117
339 60P 0.9113
340 FAN 0.9112
341 JZ1 0.9111
342 C21 0.9110
343 SW7 0.9109
344 717 0.9107
345 ATQ 0.9106
346 MZY 0.9105
347 1MZ 0.9105
348 3TR 0.9105
349 3U4 0.9104
350 285 0.9103
351 FUC 0.9101
352 R8A 0.9100
353 1WG 0.9100
354 HOW 0.9096
355 14J 0.9096
356 4DX 0.9095
357 2MZ 0.9092
358 P3K 0.9092
359 2CK 0.9092
360 HY3 0.9091
361 ABE 0.9090
362 ABA 0.9090
363 278 0.9090
364 AC0 0.9089
365 NEQ 0.9087
366 5KX 0.9087
367 SAL 0.9085
368 HX2 0.9085
369 QSC 0.9084
370 PBC 0.9083
371 TBP 0.9083
372 JBE 0.9082
373 ES6 0.9078
374 JZ6 0.9078
375 AC6 0.9077
376 67N 0.9076
377 LER 0.9076
378 BE2 0.9075
379 2AI 0.9073
380 YAN 0.9071
381 SS1 0.9063
382 36R 0.9062
383 5VM 0.9059
384 HLR 0.9058
385 IMR 0.9056
386 CLW 0.9052
387 HPA 0.9052
388 R1X 0.9052
389 GBL 0.9051
390 JZ5 0.9050
391 HSE 0.9049
392 TC7 0.9048
393 URP 0.9043
394 JAB 0.9042
395 9EW 0.9041
396 BYZ 0.9040
397 1XX 0.9040
398 SS2 0.9040
399 3XX 0.9034
400 9TY 0.9033
401 ES3 0.9033
402 ADE 0.9033
403 DTI 0.9032
404 PRI 0.9030
405 9DA 0.9030
406 DFB 0.9029
407 GLC 0.9028
408 F4Z 0.9021
409 PYZ 0.9021
410 5NU 0.9020
411 B53 0.9020
412 SMV 0.9018
413 2CQ 0.9017
414 BTE 0.9016
415 0RW 0.9016
416 VGD 0.9011
417 5WV 0.9011
418 1WD 0.9010
419 7WG 0.9010
420 10L 0.9009
421 03W 0.9008
422 SVN 0.9007
423 2RA 0.9007
424 ES4 0.9004
425 6MP 0.9003
426 MLT 0.9002
427 69O 0.9002
428 FLA 0.9001
429 ET2 0.9000
430 5OB 0.9000
431 BZ3 0.8999
432 94N 0.8999
433 PM6 0.8998
434 DBB 0.8997
435 A3B 0.8997
436 G6D 0.8997
437 7WA 0.8996
438 M58 0.8996
439 BP1 0.8993
440 T2C 0.8991
441 150 0.8990
442 HSM 0.8984
443 5CU 0.8983
444 FCA 0.8980
445 DOB 0.8980
446 4M0 0.8976
447 BHA 0.8976
448 FA0 0.8974
449 TLA 0.8973
450 9YL 0.8972
451 XQ0 0.8972
452 PEA 0.8970
453 UY7 0.8968
454 SWD 0.8966
455 DCY 0.8966
456 2EZ 0.8964
457 R8S 0.8964
458 AKB 0.8963
459 ES7 0.8962
460 PYR 0.8962
461 9HX 0.8961
462 UGC 0.8960
463 7HP 0.8960
464 JKE 0.8960
465 45C 0.8959
466 HUI 0.8958
467 BSX 0.8957
468 B20 0.8956
469 7W4 0.8955
470 LEA 0.8953
471 2AQ 0.8948
472 DPR 0.8947
473 PRS 0.8947
474 4FS 0.8946
475 BNZ 0.8944
476 AZF 0.8941
477 4AX 0.8940
478 XRG 0.8939
479 7WV 0.8937
480 KKN 0.8936
481 3ZS 0.8936
482 ES5 0.8935
483 0PY 0.8934
484 1P8 0.8932
485 1DW 0.8932
486 C2A 0.8931
487 3OH 0.8931
488 NOJ 0.8930
489 AGK 0.8930
490 03V 0.8930
491 ISN 0.8930
492 IFM 0.8929
493 64K 0.8928
494 PHZ 0.8928
495 2A9 0.8928
496 VNJ 0.8927
497 6M9 0.8925
498 192 0.8925
499 RUU 0.8925
500 YRL 0.8922
501 JB5 0.8920
502 IT2 0.8917
503 HDA 0.8916
504 4FA 0.8916
505 COU 0.8915
506 BNS 0.8911
507 ES2 0.8910
508 OXL 0.8907
509 OXZ 0.8906
510 K2T 0.8905
511 3SK 0.8903
512 AZA 0.8902
513 DYA 0.8902
514 FBB 0.8901
515 CXF 0.8901
516 AAE 0.8900
517 PAE 0.8900
518 OXM 0.8898
519 FUB 0.8897
520 6GU 0.8895
521 HYP 0.8895
522 YH7 0.8893
523 BAL 0.8893
524 6SP 0.8891
525 FUF 0.8890
526 DMI 0.8890
527 1AC 0.8888
528 ABU 0.8883
529 RP7 0.8883
530 3V4 0.8880
531 P1R 0.8876
532 IP0 0.8875
533 ADZ 0.8875
534 C2N 0.8873
535 0CU 0.8872
536 PYM 0.8870
537 SRT 0.8869
538 H42 0.8869
539 ILE 0.8869
540 HH5 0.8868
541 PEL 0.8868
542 IFL 0.8867
543 A2F 0.8866
544 BUO 0.8866
545 ITN 0.8863
546 OK7 0.8862
547 DX4 0.8862
548 Q88 0.8862
549 YTB 0.8862
550 LAC 0.8860
551 OCH 0.8859
552 KYD 0.8858
553 XBT 0.8858
554 JBK 0.8852
555 1M2 0.8852
556 2DR 0.8851
557 9DG 0.8851
558 RHU 0.8850
559 6M4 0.8850
560 261 0.8849
561 82I 0.8848
562 RBJ 0.8847
563 ARA 0.8847
564 DGJ 0.8846
565 7B4 0.8844
566 GUN 0.8843
567 M2H 0.8843
568 SEJ 0.8840
569 FCB 0.8838
570 DBH 0.8836
571 3HA 0.8835
572 ES0 0.8835
573 SAR 0.8835
574 G4D 0.8835
575 RNS 0.8833
576 1XM 0.8833
577 ASN 0.8833
578 6AP 0.8832
579 CWM 0.8831
580 GIF 0.8830
581 NVA 0.8830
582 FP1 0.8828
583 XAN 0.8827
584 BAE 0.8827
585 RM4 0.8827
586 DTL 0.8826
587 3F0 0.8825
588 NOY 0.8825
589 AEF 0.8824
590 HGY 0.8822
591 BUA 0.8821
592 GLL 0.8821
593 AZG 0.8819
594 8GC 0.8816
595 PAF 0.8814
596 E5X 0.8814
597 4BZ 0.8814
598 BCP 0.8813
599 290 0.8813
600 CRN 0.8812
601 CFP 0.8807
602 6F0 0.8807
603 GAL 0.8806
604 G2F 0.8804
605 141 0.8803
606 47J 0.8803
607 IGA 0.8802
608 3M0 0.8801
609 7N0 0.8800
610 ITU 0.8800
611 WDL 0.8800
612 3ID 0.8799
613 IHG 0.8799
614 AX2 0.8798
615 NMG 0.8797
616 5Y9 0.8796
617 MNM 0.8794
618 2ZV 0.8793
619 HCS 0.8793
620 OXD 0.8793
621 2XX 0.8792
622 JZ7 0.8792
623 SOE 0.8791
624 2ZX 0.8791
625 ISZ 0.8791
626 ZBT 0.8790
627 NNO 0.8786
628 IPB 0.8786
629 CEE 0.8783
630 Z6J 0.8783
631 DHR 0.8783
632 F9Y 0.8782
633 DMD 0.8776
634 GRE 0.8774
635 P9P 0.8774
636 ASO 0.8770
637 MR1 0.8769
638 2D0 0.8768
639 LCN 0.8767
640 6UA 0.8767
641 BOA 0.8766
642 ANN 0.8765
643 FW5 0.8765
644 260 0.8762
645 1DQ 0.8759
646 DHB 0.8756
647 BPN 0.8751
648 IF7 0.8751
649 O72 0.8750
650 XIY 0.8750
651 1LQ 0.8749
652 5Q0 0.8748
653 7HQ 0.8747
654 CP 0.8743
655 1SQ 0.8741
656 HH8 0.8740
657 JA8 0.8740
658 4NC 0.8738
659 1NP 0.8738
660 INO 0.8738
661 HY1 0.8737
662 4ZC 0.8735
663 4CS 0.8735
664 3NT 0.8733
665 5HN 0.8733
666 HQY 0.8731
667 3HB 0.8728
668 4XH 0.8727
669 XXR 0.8727
670 40E 0.8726
671 QWN 0.8726
672 SN4 0.8726
673 13X 0.8724
674 4P5 0.8723
675 MFB 0.8723
676 CHT 0.8723
677 3AB 0.8722
678 3AY 0.8721
679 MRZ 0.8721
680 B57 0.8721
681 TEO 0.8719
682 5SG 0.8719
683 GAB 0.8715
684 ASP 0.8715
685 PGA 0.8714
686 XX2 0.8713
687 THE 0.8713
688 1LM 0.8710
689 GLU 0.8709
690 GOO 0.8709
691 ES1 0.8709
692 5AN 0.8708
693 IQ0 0.8707
694 SAN 0.8707
695 4NM 0.8706
696 PNZ 0.8704
697 L3Q 0.8703
698 271 0.8701
699 51F 0.8701
700 MYJ 0.8700
701 IHB 0.8700
702 SGL 0.8700
703 6M1 0.8698
704 OVV 0.8698
705 JPZ 0.8697
706 JBH 0.8696
707 5IQ 0.8695
708 FHB 0.8693
709 I3A 0.8693
710 LZM 0.8692
711 4YS 0.8690
712 PAV 0.8690
713 2HO 0.8688
714 PBE 0.8686
715 M6W 0.8686
716 3HM 0.8685
717 24W 0.8684
718 4A3 0.8683
719 259 0.8682
720 93K 0.8679
721 QXW 0.8679
722 5B1 0.8678
723 GLA 0.8678
724 1P7 0.8677
725 JLZ 0.8676
726 PKU 0.8675
727 QSB 0.8674
728 NXA 0.8674
729 CHB 0.8672
730 9TW 0.8671
731 EQT 0.8670
732 BR8 0.8666
733 F5B 0.8661
734 N5J 0.8661
735 2LP 0.8660
736 XUL 0.8660
737 NMJ 0.8659
738 1DV 0.8657
739 53C 0.8655
740 6HQ 0.8654
741 PTO 0.8654
742 3HL 0.8652
743 3DO 0.8651
744 HV2 0.8650
745 WCE 0.8649
746 COI 0.8647
747 TAR 0.8644
748 3BZ 0.8644
749 5ZE 0.8643
750 H76 0.8640
751 2BG 0.8634
752 42A 0.8630
753 BRT 0.8627
754 FCR 0.8627
755 32O 0.8626
756 KJH 0.8621
757 GXY 0.8617
758 TSU 0.8616
759 TCZ 0.8614
760 RB5 0.8612
761 TZE 0.8611
762 NIZ 0.8611
763 12Q 0.8610
764 BHO 0.8608
765 MAN 0.8608
766 TNE 0.8602
767 ALA 0.8600
768 X6X 0.8600
769 O7U 0.8595
770 RAM 0.8590
771 4JT 0.8590
772 3GR 0.8589
773 TB6 0.8584
774 LRH 0.8580
775 CFI 0.8580
776 TIU 0.8566
777 HHA 0.8566
778 4WL 0.8559
779 86J 0.8559
780 98J 0.8557
781 4AA 0.8553
782 5RG 0.8548
783 AAS 0.8546
784 PRY 0.8520
785 DAL 0.8518
786 F0J 0.8516
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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