Receptor
PDB id Resolution Class Description Source Keywords
2AS4 1.3 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE IN COMPLEX WITH 3-FLUOROCATECHOL 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
3FA A:500;
A:700;
 Valid;
Valid;
 none;
none;
 Kd = 7.7 mM
128.101 C6 H5 F O2 c1cc(...
HEM A:400;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
K A:600;
 Part of Protein;
 none;
 submit data
39.098 K [K+]
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: 3FA; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 3FA 1 1
2 FFP 0.583333 0.809524
3 PYG 0.5 0.708333
4 ZTN 0.5 0.809524
5 FP2 0.444444 0.809524
6 MBD 0.4 0.772727
7 3CE 0.4 0.909091
Similar Ligands (3D)
Ligand no: 1; Ligand: 3FA; Similar ligands found: 796
No: Ligand Similarity coefficient
1 2C9 1.0000
2 6MH 1.0000
3 2CM 1.0000
4 TM4 1.0000
5 3MC 1.0000
6 2MY 1.0000
7 FLM 1.0000
8 GMN 1.0000
9 DUB 0.9992
10 3MH 0.9975
11 XYP 0.9968
12 XYS 0.9870
13 LXC 0.9865
14 94N 0.9843
15 TMT 0.9807
16 TMZ 0.9766
17 3ZQ 0.9755
18 4XX 0.9714
19 23A 0.9710
20 AZF 0.9708
21 284 0.9702
22 RCO 0.9700
23 CRS 0.9698
24 LG3 0.9694
25 URA 0.9691
26 IFM 0.9687
27 CYT 0.9687
28 26D 0.9684
29 DFB 0.9684
30 3CH 0.9669
31 8GF 0.9666
32 BTE 0.9650
33 BVF 0.9646
34 RSF 0.9642
35 ADE 0.9640
36 LG5 0.9640
37 40O 0.9639
38 DUC 0.9634
39 OXZ 0.9632
40 AHR 0.9626
41 64K 0.9624
42 CAQ 0.9623
43 HPA 0.9615
44 CIG 0.9610
45 SEJ 0.9593
46 1AN 0.9590
47 8LG 0.9587
48 9HX 0.9584
49 92Z 0.9583
50 7WA 0.9574
51 6MP 0.9573
52 ARA 0.9572
53 2AF 0.9568
54 L89 0.9568
55 9DA 0.9566
56 4H2 0.9565
57 76X 0.9564
58 F81 0.9563
59 7HP 0.9560
60 6UA 0.9558
61 ARB 0.9557
62 HGQ 0.9553
63 93Q 0.9552
64 P3K 0.9546
65 B3R 0.9545
66 13X 0.9542
67 M3T 0.9541
68 HEW 0.9537
69 WBU 0.9534
70 URF 0.9532
71 ES4 0.9529
72 OXE 0.9526
73 BP1 0.9523
74 1XX 0.9520
75 JIF 0.9520
76 PM6 0.9516
77 2CH 0.9512
78 0MK 0.9512
79 1MC 0.9510
80 0TR 0.9510
81 JZ0 0.9506
82 ECE 0.9504
83 5ZE 0.9504
84 10L 0.9500
85 6X8 0.9500
86 AX2 0.9494
87 HPY 0.9493
88 938 0.9488
89 G6D 0.9487
90 3AY 0.9487
91 BEW 0.9486
92 WDL 0.9486
93 JZ3 0.9485
94 ADK 0.9483
95 HTS 0.9480
96 CYH 0.9476
97 TDR 0.9472
98 IDH 0.9470
99 7MH 0.9470
100 NK 0.9469
101 BR8 0.9469
102 PYD 0.9466
103 ICP 0.9466
104 MCT 0.9464
105 5AN 0.9462
106 A1U 0.9461
107 260 0.9460
108 2ZX 0.9452
109 4HO 0.9452
110 HAI 0.9451
111 HHQ 0.9447
112 CXL 0.9446
113 25W 0.9445
114 4ZE 0.9443
115 5UC 0.9442
116 7CZ 0.9441
117 QOS 0.9433
118 YTB 0.9432
119 285 0.9430
120 MWM 0.9427
121 3MA 0.9426
122 2AC 0.9421
123 XBZ 0.9421
124 35C 0.9420
125 1PT 0.9420
126 MAK 0.9418
127 2MP 0.9413
128 V1L 0.9409
129 34A 0.9406
130 ERH 0.9406
131 G3F 0.9404
132 F05 0.9401
133 R8A 0.9400
134 275 0.9400
135 T6C 0.9400
136 XYD 0.9399
137 GLC 0.9394
138 RIP 0.9384
139 NEQ 0.9384
140 4CL 0.9381
141 TH0 0.9370
142 BR9 0.9370
143 IPH 0.9368
144 2DR 0.9366
145 4JJ 0.9366
146 HT4 0.9363
147 27Y 0.9362
148 JZ2 0.9361
149 SVN 0.9359
150 F5B 0.9359
151 2ZV 0.9357
152 2YU 0.9355
153 DGY 0.9355
154 9EW 0.9351
155 YAN 0.9351
156 43M 0.9351
157 ICC 0.9350
158 0CT 0.9350
159 5MH 0.9350
160 H3M 0.9349
161 4JU 0.9349
162 TM7 0.9348
163 0R0 0.9347
164 BGC 0.9340
165 KYD 0.9338
166 SAL 0.9337
167 5JC 0.9334
168 VAL 0.9331
169 MBN 0.9331
170 GBD 0.9331
171 JFD 0.9330
172 MWJ 0.9326
173 2IM 0.9322
174 FUL 0.9322
175 MZG 0.9322
176 4JO 0.9322
177 6F0 0.9319
178 PLQ 0.9318
179 3AP 0.9315
180 LG4 0.9315
181 GVH 0.9314
182 FYU 0.9313
183 GRE 0.9313
184 4AP 0.9312
185 286 0.9312
186 HLR 0.9310
187 HRZ 0.9306
188 KIV 0.9305
189 4JP 0.9305
190 WOT 0.9303
191 2AP 0.9302
192 FCA 0.9300
193 0R1 0.9300
194 IND 0.9299
195 A2Q 0.9298
196 FUC 0.9297
197 7EX 0.9297
198 60P 0.9295
199 2MH 0.9294
200 8S0 0.9294
201 PAF 0.9294
202 XXR 0.9294
203 9PO 0.9294
204 BZF 0.9292
205 1XN 0.9291
206 LGA 0.9291
207 PCR 0.9290
208 TBP 0.9290
209 BZI 0.9289
210 NOJ 0.9288
211 IUR 0.9285
212 GUN 0.9284
213 HQE 0.9283
214 ADZ 0.9281
215 280 0.9279
216 HVK 0.9278
217 OXQ 0.9276
218 MB3 0.9274
219 DXX 0.9273
220 LZ1 0.9271
221 25R 0.9268
222 MPI 0.9266
223 DEN 0.9265
224 XAN 0.9264
225 7B4 0.9263
226 DTI 0.9263
227 6M1 0.9261
228 24T 0.9259
229 CEJ 0.9257
230 FPY 0.9256
231 3U4 0.9255
232 PXY 0.9254
233 HSL 0.9253
234 DA1 0.9253
235 9DG 0.9253
236 6AI 0.9253
237 FPN 0.9252
238 282 0.9252
239 JZ1 0.9248
240 GCS 0.9247
241 G2F 0.9247
242 KSW 0.9246
243 3XX 0.9243
244 4SV 0.9242
245 ISE 0.9240
246 EQT 0.9240
247 BE2 0.9239
248 GAG 0.9235
249 AZA 0.9234
250 3DM 0.9234
251 IDM 0.9229
252 HYN 0.9229
253 ES6 0.9226
254 6HQ 0.9224
255 HMH 0.9223
256 IGA 0.9222
257 5AC 0.9222
258 MFB 0.9220
259 FUF 0.9220
260 A2F 0.9216
261 L3Q 0.9215
262 GXE 0.9215
263 HQY 0.9215
264 Y8I 0.9215
265 47J 0.9215
266 0RW 0.9215
267 BZX 0.9214
268 3F0 0.9213
269 8CL 0.9212
270 6AP 0.9211
271 82I 0.9210
272 DFU 0.9209
273 YHO 0.9208
274 ES1 0.9206
275 GOO 0.9204
276 JPZ 0.9198
277 INS 0.9197
278 1LQ 0.9196
279 SWD 0.9195
280 TLD 0.9195
281 N5J 0.9195
282 141 0.9195
283 5SG 0.9194
284 RP7 0.9194
285 5IQ 0.9193
286 HMU 0.9193
287 RNS 0.9190
288 TCZ 0.9190
289 JBK 0.9189
290 5Q0 0.9187
291 AZG 0.9186
292 TTO 0.9186
293 4HS 0.9186
294 YH7 0.9184
295 290 0.9181
296 FCB 0.9180
297 FE DB1 0.9180
298 M1A 0.9180
299 MLT 0.9177
300 1WD 0.9173
301 1LM 0.9173
302 GIO 0.9170
303 3M0 0.9170
304 ZZT 0.9168
305 9TY 0.9167
306 1XM 0.9166
307 DBH 0.9165
308 1SQ 0.9164
309 DMI 0.9162
310 IFL 0.9162
311 3HA 0.9161
312 RAM 0.9160
313 O72 0.9158
314 39A 0.9156
315 2A7 0.9156
316 FPI 0.9155
317 B53 0.9154
318 4XH 0.9151
319 EXO 0.9150
320 RM4 0.9150
321 J1Z 0.9147
322 MMZ 0.9147
323 5MB 0.9143
324 4JN 0.9142
325 BOA 0.9142
326 JBH 0.9141
327 L60 0.9140
328 SYN 0.9140
329 ALO 0.9138
330 4YS 0.9137
331 HH8 0.9136
332 DIE 0.9133
333 23W 0.9130
334 6M4 0.9130
335 5H1 0.9129
336 HHN 0.9126
337 JBE 0.9126
338 CFP 0.9125
339 C2A 0.9125
340 E60 0.9124
341 R2B 0.9124
342 HFB 0.9123
343 6GU 0.9122
344 BML 0.9120
345 4CH 0.9118
346 3Z7 0.9117
347 25T 0.9116
348 M2H 0.9112
349 67N 0.9111
350 EDG 0.9111
351 JKE 0.9111
352 7HQ 0.9110
353 HY3 0.9110
354 S76 0.9108
355 2K4 0.9106
356 HBX 0.9105
357 RIB 0.9103
358 1AB 0.9103
359 14O 0.9103
360 ES9 0.9102
361 278 0.9101
362 KPL 0.9100
363 DX4 0.9100
364 F60 0.9100
365 3RK 0.9099
366 1NP 0.9098
367 1DW 0.9098
368 ABE 0.9098
369 24B 0.9096
370 XIX 0.9096
371 M1E 0.9096
372 4ZC 0.9095
373 1WG 0.9094
374 SOE 0.9094
375 JZ9 0.9093
376 PIH 0.9091
377 5MI 0.9090
378 DQN 0.9090
379 BMA 0.9089
380 5CL 0.9088
381 150 0.9087
382 NOY 0.9084
383 ABN 0.9081
384 4AX 0.9080
385 GAL 0.9077
386 AMC 0.9077
387 AGK 0.9077
388 LCN 0.9076
389 6M9 0.9075
390 4XR 0.9073
391 93B 0.9070
392 4PW 0.9070
393 7WV 0.9069
394 R8S 0.9066
395 NBE 0.9066
396 5WX 0.9060
397 8H8 0.9059
398 QUZ 0.9057
399 DMG 0.9055
400 NPY 0.9054
401 ASO 0.9050
402 MAN 0.9050
403 PYF 0.9050
404 APY 0.9050
405 BCF 0.9049
406 BCP 0.9049
407 PY7 0.9048
408 11S 0.9047
409 I3A 0.9046
410 O7U 0.9043
411 SER 0.9041
412 BBF 0.9039
413 0CU 0.9036
414 VNJ 0.9031
415 AUD 0.9031
416 HHA 0.9030
417 24W 0.9030
418 Q88 0.9029
419 HGW 0.9028
420 IOL 0.9026
421 2CQ 0.9023
422 1DH 0.9021
423 G5V 0.9020
424 ZZ3 0.9019
425 HH5 0.9017
426 H4N 0.9015
427 1MR 0.9012
428 XQG 0.9011
429 FK1 0.9010
430 MZW 0.9010
431 GIF 0.9009
432 ARW 0.9008
433 45C 0.9004
434 LGC 0.9004
435 DMJ 0.9000
436 SHG 0.8994
437 PYJ 0.8992
438 FLA 0.8991
439 MLA 0.8991
440 JAE 0.8988
441 3SK 0.8987
442 270 0.8986
443 YSO 0.8984
444 ES0 0.8983
445 2KT 0.8983
446 5RG 0.8982
447 MSN 0.8981
448 5NU 0.8979
449 CWM 0.8977
450 2H5 0.8975
451 MLI 0.8974
452 F3B 0.8973
453 IBF 0.8973
454 B24 0.8972
455 2XX 0.8969
456 IP0 0.8968
457 8NY 0.8968
458 12M 0.8967
459 TC7 0.8963
460 F4Z 0.8963
461 XQ0 0.8961
462 NMJ 0.8959
463 LER 0.8954
464 3WA 0.8954
465 JBQ 0.8954
466 NSP 0.8949
467 H76 0.8949
468 3MG 0.8949
469 AX7 0.8948
470 P92 0.8947
471 KIA 0.8946
472 B57 0.8943
473 C5J 0.8942
474 THR 0.8940
475 7VJ 0.8940
476 KG7 0.8937
477 BEZ 0.8936
478 HBA 0.8934
479 2CK 0.8933
480 KIB 0.8933
481 BEN 0.8930
482 9CL 0.8928
483 GYE 0.8927
484 DAB 0.8926
485 Z6J 0.8926
486 FUB 0.8926
487 PCI 0.8925
488 HXX 0.8920
489 UEG 0.8920
490 2MI 0.8916
491 DSN 0.8910
492 6KX 0.8910
493 YCP 0.8909
494 7NI 0.8908
495 FOA 0.8904
496 SJ5 0.8900
497 8GC 0.8898
498 PFB 0.8898
499 54G 0.8898
500 6PC 0.8896
501 BDF 0.8895
502 Q6T 0.8894
503 GTQ 0.8893
504 3PY 0.8890
505 NBZ 0.8889
506 LZM 0.8889
507 CYS 0.8888
508 KJY 0.8887
509 5M0 0.8887
510 NCA 0.8886
511 BAM 0.8885
512 KOJ 0.8885
513 7W4 0.8885
514 P2D 0.8884
515 495 0.8883
516 FPK 0.8883
517 42A 0.8883
518 HJP 0.8881
519 KKN 0.8881
520 ISN 0.8880
521 TH7 0.8880
522 6CS 0.8880
523 PYC 0.8872
524 5MK 0.8872
525 HIU 0.8868
526 UNC 0.8867
527 PRO 0.8865
528 I1N 0.8863
529 MFU 0.8863
530 MNM 0.8862
531 BHA 0.8862
532 DOB 0.8861
533 3NT 0.8861
534 5CU 0.8861
535 ABV 0.8857
536 FA0 0.8857
537 4M0 0.8856
538 261 0.8856
539 GLA 0.8856
540 42C 0.8854
541 PHB 0.8853
542 GAB 0.8853
543 HLZ 0.8853
544 2D0 0.8853
545 265 0.8851
546 IJZ 0.8850
547 ZWZ 0.8849
548 AKH 0.8849
549 HZQ 0.8848
550 CRN 0.8846
551 MRY 0.8845
552 5HN 0.8840
553 GIV 0.8840
554 LDU 0.8839
555 RM1 0.8833
556 SX1 0.8829
557 7VS 0.8828
558 3HB 0.8827
559 ES7 0.8827
560 NIO 0.8826
561 DTL 0.8826
562 FOT 0.8823
563 B55 0.8822
564 9MG 0.8820
565 FDB 0.8820
566 MMA 0.8819
567 2PC 0.8819
568 3AB 0.8818
569 MZ0 0.8818
570 URQ 0.8817
571 OVV 0.8815
572 TEP 0.8815
573 DBJ 0.8813
574 ASP 0.8810
575 TLA 0.8810
576 F0J 0.8809
577 4CS 0.8808
578 4VP 0.8807
579 GLF 0.8806
580 MT0 0.8806
581 PZA 0.8806
582 5WV 0.8804
583 PE0 0.8801
584 PXL 0.8800
585 G4D 0.8796
586 TFU 0.8795
587 FBT 0.8793
588 5B1 0.8792
589 PXM 0.8792
590 GAF 0.8784
591 12B 0.8782
592 QWN 0.8781
593 LYL 0.8780
594 53C 0.8780
595 ITN 0.8780
596 LMR 0.8779
597 VGL 0.8778
598 AMT 0.8777
599 9TZ 0.8774
600 HX3 0.8772
601 NTM 0.8771
602 GXL 0.8771
603 AZ8 0.8767
604 1P3 0.8767
605 NTN 0.8766
606 BNZ 0.8766
607 B20 0.8765
608 4AA 0.8764
609 HIO 0.8763
610 03V 0.8762
611 X6X 0.8759
612 MZB 0.8758
613 BTY 0.8757
614 WCE 0.8757
615 948 0.8756
616 KBG 0.8755
617 1P7 0.8754
618 9X7 0.8754
619 FP1 0.8753
620 8IG 0.8752
621 3BZ 0.8749
622 32X 0.8747
623 TP5 0.8745
624 PAV 0.8744
625 JBN 0.8744
626 IPZ 0.8742
627 AFR 0.8741
628 CGB 0.8740
629 JB5 0.8739
630 DMD 0.8738
631 COU 0.8738
632 URC 0.8737
633 2EC 0.8736
634 BAQ 0.8736
635 1CB 0.8733
636 0PY 0.8733
637 TAR 0.8733
638 BSX 0.8732
639 3IT 0.8732
640 DCD 0.8732
641 OXC 0.8731
642 M0Q 0.8731
643 4HM 0.8730
644 DGJ 0.8730
645 JZ4 0.8729
646 M1H 0.8728
647 RUU 0.8727
648 TZC 0.8726
649 QXW 0.8723
650 NVI 0.8722
651 PA1 0.8722
652 C2U 0.8721
653 PYQ 0.8720
654 KLW 0.8720
655 PHT 0.8720
656 UNU 0.8719
657 2AQ 0.8718
658 PBE 0.8718
659 3ID 0.8717
660 SS1 0.8716
661 8TX 0.8715
662 ALL 0.8714
663 DHQ 0.8714
664 1LN 0.8714
665 BRT 0.8713
666 PHZ 0.8709
667 MEW 0.8708
668 DIU 0.8708
669 AQO 0.8706
670 3MT 0.8705
671 OAA 0.8704
672 RPQ 0.8703
673 DTU 0.8703
674 BP9 0.8703
675 2LP 0.8703
676 75K 0.8703
677 M5K 0.8701
678 LRH 0.8700
679 12Q 0.8700
680 5OB 0.8698
681 SMV 0.8698
682 PBR 0.8698
683 4FS 0.8698
684 TFB 0.8697
685 KJH 0.8696
686 1GN 0.8695
687 OHG 0.8694
688 ASN 0.8694
689 A7W 0.8694
690 LSA 0.8694
691 V55 0.8693
692 JAB 0.8693
693 ES5 0.8693
694 5JL 0.8693
695 URP 0.8691
696 BHO 0.8689
697 P1R 0.8688
698 1AC 0.8687
699 CIZ 0.8687
700 5JQ 0.8687
701 32O 0.8687
702 HSE 0.8686
703 HQT 0.8685
704 NPO 0.8684
705 2FG 0.8684
706 HUI 0.8684
707 MBG 0.8683
708 QSC 0.8679
709 H42 0.8678
710 WOO 0.8675
711 XUL 0.8674
712 ORO 0.8674
713 FBA 0.8674
714 C21 0.8672
715 XM0 0.8666
716 EA1 0.8664
717 RB5 0.8664
718 N8P 0.8662
719 IF7 0.8662
720 BVC 0.8657
721 4JL 0.8656
722 SS2 0.8655
723 1U6 0.8654
724 6LW 0.8654
725 JUG 0.8651
726 149 0.8648
727 680 0.8647
728 94B 0.8645
729 H8N 0.8644
730 OCH 0.8641
731 IPB 0.8640
732 SWA 0.8639
733 FRU 0.8637
734 DOR 0.8637
735 MRW 0.8636
736 M58 0.8635
737 3TR 0.8635
738 5QX 0.8633
739 EUG 0.8632
740 4M4 0.8632
741 NDM 0.8631
742 34D 0.8630
743 4JM 0.8630
744 4HC 0.8628
745 D1X 0.8627
746 SFU 0.8627
747 PBC 0.8626
748 KP6 0.8626
749 AKB 0.8626
750 7W1 0.8626
751 51F 0.8625
752 AC0 0.8624
753 5VM 0.8624
754 N7P 0.8624
755 ATQ 0.8622
756 GBL 0.8621
757 DRL 0.8620
758 VGD 0.8619
759 FH2 0.8619
760 0P6 0.8618
761 2A9 0.8618
762 ABA 0.8617
763 FDK 0.8613
764 ET2 0.8611
765 34V 0.8611
766 3FH 0.8608
767 BDP 0.8608
768 K5W 0.8607
769 37T 0.8606
770 MO8 0.8603
771 3DO 0.8596
772 PYR 0.8595
773 QBK 0.8593
774 AJ2 0.8593
775 36R 0.8593
776 BZ3 0.8592
777 HOW 0.8592
778 2AI 0.8592
779 4MZ 0.8587
780 5RN 0.8587
781 DCY 0.8584
782 1P8 0.8583
783 CWS 0.8580
784 PRY 0.8580
785 1MZ 0.8575
786 QWW 0.8572
787 YIO 0.8570
788 AAE 0.8570
789 14J 0.8569
790 MR1 0.8568
791 G1O 0.8563
792 TZE 0.8554
793 IV2 0.8553
794 MR3 0.8543
795 2MZ 0.8523
796 INE 0.8513
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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