Receptor
PDB id Resolution Class Description Source Keywords
2Y5A 1.25 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE (CCP) W191G BOUND TO 3-AMINOPYRIDINE SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE DOCKING MODEL BINDING SITE
Ref.: PROBING THE DYNAMIC NATURE OF WATER MOLECULES AND T INFLUENCES ON LIGAND BINDING IN A MODEL BINDING SIT J.CHEM.INF.MODEL V. 51 2581 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3AP A:1295;
 Valid;
 none;
 Kd = 0.055 mM
95.122 C5 H7 N2 c1cc(...
HEM A:1001;
 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: 3AP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3AP 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 3AP; Similar ligands found: 583
No: Ligand Similarity coefficient
1 IPH 1.0000
2 7EX 1.0000
3 HAI 1.0000
4 CXL 1.0000
5 CYH 1.0000
6 V1L 1.0000
7 A2Q 1.0000
8 HRZ 1.0000
9 HVK 1.0000
10 MBN 1.0000
11 LGA 1.0000
12 WOT 1.0000
13 2AP 1.0000
14 4AP 1.0000
15 9PO 1.0000
16 2IM 0.9995
17 GXE 0.9963
18 8CL 0.9954
19 HHN 0.9941
20 TTO 0.9888
21 L60 0.9870
22 93B 0.9860
23 1CB 0.9820
24 3MT 0.9812
25 PIH 0.9804
26 HGW 0.9795
27 BAQ 0.9784
28 MZY 0.9784
29 282 0.9783
30 MZ0 0.9777
31 HSL 0.9774
32 3TR 0.9764
33 5MP 0.9763
34 4MZ 0.9760
35 AMT 0.9749
36 2MZ 0.9749
37 MR3 0.9742
38 HOW 0.9724
39 DGY 0.9716
40 HPY 0.9714
41 ECE 0.9711
42 GBL 0.9710
43 FPI 0.9708
44 2AI 0.9703
45 4JU 0.9699
46 DUC 0.9698
47 LG3 0.9695
48 1MZ 0.9693
49 URA 0.9693
50 ATQ 0.9690
51 RCO 0.9679
52 CYT 0.9674
53 HYN 0.9671
54 CRS 0.9671
55 5KX 0.9666
56 CEJ 0.9664
57 MB3 0.9663
58 26D 0.9659
59 284 0.9656
60 4XX 0.9655
61 LG5 0.9652
62 XIX 0.9650
63 PYF 0.9645
64 24T 0.9645
65 LG4 0.9644
66 BYZ 0.9643
67 HQE 0.9642
68 HBX 0.9641
69 JZ6 0.9636
70 AMC 0.9636
71 25R 0.9633
72 3ZQ 0.9632
73 FPN 0.9631
74 PCR 0.9630
75 3CH 0.9630
76 DA1 0.9626
77 SYN 0.9626
78 PLQ 0.9624
79 MMZ 0.9623
80 BVF 0.9623
81 PYZ 0.9620
82 8GF 0.9618
83 NVI 0.9616
84 25T 0.9613
85 2KT 0.9613
86 2MH 0.9607
87 DMI 0.9603
88 NBE 0.9601
89 ABN 0.9598
90 93Q 0.9590
91 ES3 0.9590
92 PY7 0.9587
93 HIU 0.9584
94 DTI 0.9582
95 PXY 0.9582
96 B20 0.9580
97 CAQ 0.9579
98 4CH 0.9578
99 E60 0.9578
100 8LG 0.9577
101 BNZ 0.9573
102 3ZS 0.9569
103 285 0.9564
104 CIG 0.9563
105 92Z 0.9563
106 APY 0.9563
107 L89 0.9560
108 4JN 0.9557
109 0PY 0.9557
110 PHZ 0.9557
111 BEW 0.9554
112 1DH 0.9551
113 4AX 0.9550
114 1AN 0.9550
115 938 0.9549
116 FP2 0.9549
117 ICC 0.9547
118 TMZ 0.9544
119 TMT 0.9544
120 DXX 0.9544
121 DMG 0.9539
122 4HS 0.9531
123 P1R 0.9530
124 1MR 0.9530
125 76X 0.9525
126 BML 0.9520
127 280 0.9518
128 2CH 0.9512
129 H3M 0.9510
130 IOL 0.9509
131 HGQ 0.9509
132 PYJ 0.9504
133 CYS 0.9503
134 40O 0.9503
135 6SP 0.9502
136 4H2 0.9497
137 M3T 0.9490
138 HHQ 0.9489
139 HTS 0.9484
140 KSW 0.9482
141 B3R 0.9481
142 HEW 0.9481
143 2AF 0.9479
144 BVG 0.9472
145 OXL 0.9469
146 J1Z 0.9468
147 BVC 0.9459
148 GOL 0.9457
149 OXM 0.9456
150 6X8 0.9450
151 VAL 0.9447
152 IDH 0.9443
153 3PY 0.9429
154 DSN 0.9429
155 JZ0 0.9426
156 SER 0.9425
157 9CL 0.9424
158 MLA 0.9422
159 OXE 0.9420
160 HVQ 0.9407
161 KG7 0.9401
162 MLI 0.9401
163 OXD 0.9399
164 278 0.9392
165 URF 0.9388
166 B24 0.9383
167 LAC 0.9371
168 MAK 0.9367
169 PYR 0.9364
170 3OH 0.9364
171 GVH 0.9360
172 4JP 0.9355
173 3MC 0.9351
174 MCT 0.9348
175 RSF 0.9342
176 YAN 0.9341
177 TDR 0.9334
178 JZ3 0.9333
179 1MC 0.9333
180 1PT 0.9332
181 MPI 0.9330
182 BZF 0.9329
183 C5J 0.9325
184 0R1 0.9325
185 IND 0.9325
186 WBU 0.9323
187 PYD 0.9321
188 ICP 0.9321
189 275 0.9321
190 2EZ 0.9320
191 4HO 0.9319
192 BZI 0.9316
193 3FA 0.9315
194 0CT 0.9313
195 2AC 0.9311
196 RP7 0.9311
197 FFP 0.9309
198 MLM 0.9309
199 MBD 0.9309
200 FPY 0.9307
201 4ZE 0.9305
202 A1U 0.9305
203 PYG 0.9303
204 GMN 0.9303
205 LZ1 0.9303
206 NK 0.9302
207 DEN 0.9302
208 HGY 0.9290
209 MWM 0.9287
210 4CL 0.9287
211 4DX 0.9287
212 FLM 0.9275
213 KIV 0.9275
214 TM4 0.9271
215 XYD 0.9268
216 2C9 0.9263
217 1AC 0.9261
218 2MY 0.9259
219 2MP 0.9257
220 XBZ 0.9257
221 BR9 0.9252
222 3CE 0.9251
223 2OP 0.9248
224 6MH 0.9247
225 FOA 0.9246
226 34A 0.9246
227 4JJ 0.9246
228 JZ2 0.9245
229 DAL 0.9241
230 TH0 0.9241
231 MZG 0.9239
232 PYM 0.9237
233 0R0 0.9234
234 R8A 0.9232
235 27Y 0.9231
236 PYC 0.9224
237 ALA 0.9218
238 OXQ 0.9216
239 03W 0.9214
240 IDM 0.9213
241 DCY 0.9213
242 1DU 0.9213
243 HT4 0.9211
244 XYP 0.9211
245 5UC 0.9210
246 BUO 0.9206
247 SMB 0.9205
248 2CM 0.9204
249 MWJ 0.9202
250 ABA 0.9200
251 LXC 0.9200
252 TM7 0.9195
253 5Y9 0.9194
254 DUB 0.9194
255 5MH 0.9188
256 4JO 0.9187
257 YHO 0.9184
258 5JC 0.9183
259 P2D 0.9183
260 PRI 0.9182
261 JBN 0.9182
262 43M 0.9181
263 3MH 0.9178
264 IUR 0.9173
265 AX2 0.9173
266 2RA 0.9172
267 WDL 0.9172
268 HUI 0.9171
269 2YU 0.9171
270 BEZ 0.9165
271 PRO 0.9165
272 NEQ 0.9154
273 9X7 0.9152
274 6UA 0.9151
275 MMU 0.9150
276 3AY 0.9148
277 BEN 0.9147
278 A3B 0.9145
279 DBB 0.9145
280 OHG 0.9145
281 BAL 0.9144
282 5AN 0.9143
283 5ZE 0.9138
284 NCA 0.9135
285 GBD 0.9132
286 HY3 0.9129
287 1XX 0.9124
288 GAG 0.9122
289 TZC 0.9121
290 286 0.9119
291 NAK 0.9119
292 2PC 0.9116
293 MLT 0.9114
294 265 0.9113
295 THR 0.9113
296 5AC 0.9112
297 JZ1 0.9111
298 2ZX 0.9109
299 SMV 0.9107
300 NIO 0.9107
301 QOS 0.9107
302 39J 0.9107
303 MEU 0.9105
304 Y8I 0.9104
305 6PC 0.9104
306 AHR 0.9101
307 13X 0.9101
308 NIS 0.9094
309 NBZ 0.9093
310 HBA 0.9091
311 XYS 0.9090
312 0TR 0.9088
313 YCP 0.9088
314 2DR 0.9084
315 VGL 0.9083
316 PZA 0.9080
317 BAM 0.9077
318 23W 0.9077
319 BP9 0.9075
320 TP5 0.9074
321 NCM 0.9070
322 JAB 0.9066
323 94N 0.9064
324 ERH 0.9050
325 JZ9 0.9050
326 LDU 0.9049
327 BUA 0.9049
328 BR8 0.9048
329 TLD 0.9048
330 TFB 0.9047
331 RIB 0.9046
332 2HA 0.9041
333 ALO 0.9039
334 SAR 0.9038
335 NTN 0.9036
336 C2A 0.9031
337 3GR 0.9030
338 273 0.9030
339 M58 0.9030
340 7CZ 0.9026
341 GOA 0.9023
342 C21 0.9022
343 UNU 0.9019
344 SS2 0.9006
345 AKR 0.9005
346 RIP 0.9005
347 IT2 0.9002
348 192 0.9001
349 JZ5 0.8995
350 ADE 0.8992
351 R2B 0.8992
352 60P 0.8991
353 PHB 0.8985
354 GLV 0.8984
355 4JL 0.8983
356 C2N 0.8981
357 9DA 0.8979
358 6MP 0.8977
359 LER 0.8977
360 FAH 0.8975
361 GXV 0.8975
362 R1X 0.8969
363 QSC 0.8966
364 HAE 0.8965
365 BAE 0.8964
366 4VP 0.8964
367 AC0 0.8962
368 7HP 0.8960
369 1AB 0.8960
370 JIF 0.8956
371 FBA 0.8950
372 C2B 0.8950
373 23A 0.8947
374 HSE 0.8943
375 H8N 0.8941
376 HPA 0.8939
377 0MK 0.8938
378 10L 0.8936
379 ES4 0.8935
380 T2C 0.8933
381 ALQ 0.8932
382 GLY 0.8930
383 DAB 0.8929
384 9HX 0.8929
385 BP1 0.8928
386 PBC 0.8925
387 NMU 0.8922
388 TCZ 0.8921
389 AAE 0.8920
390 NHY 0.8920
391 NIE 0.8919
392 PPI 0.8918
393 MGX 0.8916
394 EDG 0.8914
395 F50 0.8913
396 MAE 0.8913
397 4XR 0.8913
398 PM6 0.8911
399 7WA 0.8911
400 FUC 0.8911
401 IMR 0.8897
402 47J 0.8896
403 DFB 0.8893
404 HVB 0.8890
405 64K 0.8890
406 AZF 0.8887
407 IFM 0.8885
408 AGU 0.8880
409 DPR 0.8875
410 9TY 0.8875
411 ASP 0.8875
412 F3V 0.8875
413 FW5 0.8875
414 BU4 0.8873
415 2A1 0.8870
416 PAE 0.8869
417 HCS 0.8869
418 AKB 0.8868
419 AOA 0.8867
420 MRY 0.8864
421 BTE 0.8864
422 HBS 0.8863
423 ARB 0.8862
424 SS1 0.8861
425 7MH 0.8861
426 MZW 0.8858
427 4JM 0.8858
428 CP 0.8857
429 61G 0.8857
430 NVA 0.8855
431 P92 0.8855
432 PZO 0.8853
433 IMD 0.8852
434 ARA 0.8849
435 RSO 0.8847
436 HSM 0.8846
437 IQ0 0.8846
438 FUL 0.8845
439 HUH 0.8845
440 M2H 0.8845
441 TRI 0.8843
442 PCA 0.8843
443 270 0.8841
444 O7U 0.8841
445 FLA 0.8840
446 KYD 0.8838
447 LMR 0.8837
448 CHT 0.8834
449 SWD 0.8829
450 FAN 0.8827
451 BMD 0.8826
452 F81 0.8821
453 OXZ 0.8821
454 BNS 0.8820
455 R3W 0.8820
456 YTB 0.8816
457 2HE 0.8810
458 OAA 0.8809
459 BZX 0.8807
460 DFU 0.8805
461 JBE 0.8802
462 9YL 0.8801
463 DTL 0.8801
464 CRN 0.8800
465 2MI 0.8798
466 1WD 0.8795
467 RUU 0.8792
468 TF4 0.8790
469 6AI 0.8790
470 T6C 0.8790
471 69O 0.8789
472 SAL 0.8789
473 BUQ 0.8787
474 14J 0.8785
475 AX7 0.8782
476 PRS 0.8779
477 IP0 0.8778
478 ITN 0.8778
479 9EW 0.8776
480 3HR 0.8775
481 51F 0.8775
482 NMJ 0.8774
483 F05 0.8771
484 6HQ 0.8771
485 3Z7 0.8763
486 3XX 0.8758
487 SSN 0.8754
488 3U4 0.8754
489 AGK 0.8751
490 ITU 0.8750
491 SIN 0.8749
492 ATO 0.8747
493 8NY 0.8745
494 DTU 0.8742
495 ABE 0.8742
496 QUZ 0.8740
497 4SV 0.8738
498 VNJ 0.8736
499 CEE 0.8735
500 BE2 0.8732
501 HLR 0.8731
502 40E 0.8731
503 FYU 0.8729
504 PXO 0.8727
505 3HL 0.8726
506 CIZ 0.8724
507 TSZ 0.8720
508 ES6 0.8718
509 PBE 0.8718
510 H4N 0.8716
511 FK1 0.8715
512 SVN 0.8714
513 ES9 0.8709
514 TAY 0.8709
515 ZZT 0.8708
516 0RW 0.8707
517 FUF 0.8707
518 PEL 0.8705
519 PPF 0.8705
520 5H1 0.8704
521 H76 0.8700
522 HMH 0.8700
523 3SK 0.8698
524 24B 0.8698
525 2K4 0.8697
526 NPY 0.8691
527 2A7 0.8690
528 GIF 0.8690
529 S76 0.8689
530 271 0.8689
531 TBP 0.8689
532 5MB 0.8687
533 JZ7 0.8686
534 5MI 0.8684
535 11S 0.8684
536 1DQ 0.8681
537 HY1 0.8679
538 14O 0.8677
539 KOJ 0.8675
540 F60 0.8671
541 ETF 0.8661
542 HV2 0.8660
543 PEA 0.8657
544 FJO 0.8653
545 MTG 0.8649
546 260 0.8647
547 261 0.8646
548 HLT 0.8645
549 ASN 0.8642
550 1DW 0.8642
551 7WV 0.8640
552 ABV 0.8638
553 SLP 0.8635
554 FUB 0.8633
555 SGL 0.8631
556 ALF 0.8630
557 JKE 0.8628
558 4ZC 0.8628
559 HX3 0.8627
560 BXA 0.8622
561 BRP 0.8619
562 45C 0.8615
563 JAE 0.8606
564 HYP 0.8606
565 ZZ3 0.8606
566 FCN 0.8604
567 150 0.8601
568 3NT 0.8599
569 CSS 0.8590
570 MRZ 0.8590
571 2CQ 0.8590
572 8GC 0.8583
573 PAV 0.8580
574 FCA 0.8580
575 8H8 0.8574
576 Z6J 0.8574
577 FP1 0.8566
578 NSP 0.8565
579 F4Z 0.8558
580 2CK 0.8549
581 Z82 0.8542
582 GAB 0.8526
583 TC7 0.8523
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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