Receptor
PDB id Resolution Class Description Source Keywords
1AEN 2.1 Å EC: 1.11.1.5 SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (2-AMINO-5- M ETHYLTHIAZOLE) SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE PEROXIDASE TRANSIT PEPTIDE
Ref.: ARTIFICIAL PROTEIN CAVITIES AS SPECIFIC LIGAND-BINDING TEMPLATES: CHARACTERIZATION OF AN ENGINEERED HETEROCYCLIC CATION-BINDING SITE THAT PRESERVES THE EVOLVED SPECIFICITY OF THE PARENT PROTEIN. J.MOL.BIOL. V. 315 845 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
25T A:296;
Valid;
none;
submit data
115.177 C4 H7 N2 S Cc1c[...
HEM A:295;
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: 25T; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 25T 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 25T; Similar ligands found: 591
No: Ligand Similarity coefficient
1 1DH 1.0000
2 HYN 1.0000
3 XIX 0.9932
4 CEJ 0.9890
5 24T 0.9888
6 4JU 0.9884
7 2MH 0.9825
8 E60 0.9820
9 P2D 0.9802
10 CRS 0.9802
11 DMG 0.9796
12 CXL 0.9743
13 CYH 0.9736
14 RCO 0.9729
15 LG4 0.9726
16 PXY 0.9721
17 GXE 0.9718
18 25R 0.9713
19 BVF 0.9698
20 HQE 0.9698
21 PCR 0.9697
22 MLA 0.9686
23 3CH 0.9684
24 4XX 0.9682
25 DA1 0.9677
26 IPH 0.9677
27 MBN 0.9675
28 URA 0.9674
29 4HS 0.9673
30 HAI 0.9672
31 FPN 0.9671
32 PLQ 0.9669
33 MLI 0.9665
34 BML 0.9663
35 LG3 0.9657
36 V1L 0.9651
37 2IM 0.9649
38 4CH 0.9648
39 CYT 0.9644
40 LG5 0.9638
41 WOT 0.9637
42 GOL 0.9622
43 TMZ 0.9618
44 4JN 0.9617
45 8GF 0.9615
46 MZW 0.9614
47 284 0.9614
48 3AP 0.9613
49 BP9 0.9612
50 26D 0.9608
51 HVK 0.9606
52 2AP 0.9602
53 HGQ 0.9599
54 4AP 0.9595
55 HEW 0.9595
56 MZ0 0.9595
57 C5J 0.9589
58 8CL 0.9589
59 9PO 0.9588
60 B3R 0.9586
61 AMC 0.9585
62 TMT 0.9583
63 LGA 0.9578
64 HRZ 0.9578
65 TTO 0.9574
66 HIU 0.9572
67 MLM 0.9571
68 A2Q 0.9568
69 3MT 0.9565
70 HHN 0.9564
71 IOL 0.9558
72 CYS 0.9554
73 OHG 0.9548
74 4H2 0.9547
75 M3T 0.9545
76 MEU 0.9541
77 PUT 0.9540
78 CIG 0.9530
79 3GR 0.9526
80 DUC 0.9521
81 HGW 0.9511
82 FPI 0.9508
83 DGY 0.9507
84 PIH 0.9505
85 NVI 0.9505
86 285 0.9500
87 BAQ 0.9496
88 7EX 0.9487
89 1CB 0.9486
90 AMT 0.9485
91 282 0.9484
92 HHQ 0.9482
93 H3M 0.9480
94 3ZQ 0.9479
95 4MZ 0.9478
96 2MZ 0.9459
97 2KT 0.9458
98 HVQ 0.9458
99 5MP 0.9453
100 BYZ 0.9448
101 ATQ 0.9446
102 HSL 0.9443
103 1MZ 0.9443
104 3TR 0.9440
105 MMU 0.9439
106 JZ6 0.9439
107 PYZ 0.9438
108 GBL 0.9424
109 DSN 0.9420
110 ES3 0.9419
111 93B 0.9418
112 HOW 0.9416
113 23W 0.9412
114 5KX 0.9411
115 2AI 0.9409
116 SAR 0.9407
117 ECE 0.9406
118 MZY 0.9401
119 PY7 0.9399
120 MR3 0.9393
121 9X7 0.9387
122 HPY 0.9384
123 3PY 0.9382
124 ABN 0.9382
125 2HA 0.9380
126 HBX 0.9379
127 RSF 0.9379
128 VAL 0.9377
129 DTI 0.9372
130 HBA 0.9370
131 PYF 0.9368
132 BVC 0.9365
133 SYN 0.9364
134 SER 0.9362
135 L60 0.9360
136 DTL 0.9357
137 MB3 0.9355
138 ABA 0.9350
139 MMZ 0.9344
140 KIV 0.9337
141 40O 0.9332
142 MAK 0.9322
143 APY 0.9322
144 FW5 0.9320
145 4VP 0.9316
146 PHB 0.9315
147 DXX 0.9311
148 KG7 0.9305
149 KSW 0.9302
150 DTU 0.9296
151 J1Z 0.9292
152 FPY 0.9292
153 PRO 0.9292
154 IDH 0.9290
155 MRY 0.9289
156 BVG 0.9288
157 TDR 0.9286
158 4JL 0.9273
159 1MC 0.9269
160 PYG 0.9268
161 NBE 0.9259
162 CAQ 0.9254
163 PYJ 0.9249
164 OXE 0.9248
165 MCT 0.9240
166 AAE 0.9240
167 WBU 0.9239
168 ICP 0.9239
169 PYD 0.9239
170 1PT 0.9235
171 BAL 0.9224
172 4HO 0.9223
173 L89 0.9223
174 HSE 0.9222
175 1AN 0.9221
176 BEW 0.9221
177 8LG 0.9218
178 URF 0.9217
179 LDU 0.9216
180 XYD 0.9211
181 6X8 0.9211
182 THR 0.9210
183 5UC 0.9209
184 47J 0.9208
185 938 0.9206
186 TH0 0.9206
187 1MR 0.9206
188 JZ2 0.9203
189 ITU 0.9203
190 FP2 0.9202
191 280 0.9201
192 SSN 0.9200
193 2AC 0.9200
194 92Z 0.9198
195 1DU 0.9197
196 XYP 0.9196
197 3OH 0.9196
198 34A 0.9196
199 5MH 0.9195
200 4CL 0.9195
201 XBZ 0.9194
202 FOA 0.9193
203 2MP 0.9191
204 DMI 0.9191
205 4JJ 0.9190
206 H8N 0.9188
207 A1U 0.9187
208 4ZE 0.9185
209 B24 0.9185
210 93Q 0.9182
211 FBA 0.9180
212 2CH 0.9179
213 QOS 0.9175
214 LXC 0.9168
215 3ZS 0.9168
216 43M 0.9168
217 BR9 0.9166
218 MZG 0.9164
219 2AF 0.9164
220 2EZ 0.9164
221 MWM 0.9162
222 27Y 0.9161
223 4JO 0.9159
224 C2B 0.9158
225 TM7 0.9157
226 ICC 0.9156
227 NK 0.9153
228 M2H 0.9151
229 HT4 0.9150
230 4AX 0.9150
231 HTS 0.9150
232 HAE 0.9148
233 9CL 0.9144
234 BUA 0.9143
235 OXM 0.9142
236 0R0 0.9139
237 5JC 0.9134
238 PRI 0.9134
239 76X 0.9132
240 LAC 0.9131
241 D2P 0.9130
242 MBD 0.9130
243 4JM 0.9129
244 OXL 0.9126
245 MWJ 0.9123
246 DE2 0.9122
247 PAE 0.9121
248 IUR 0.9117
249 TP5 0.9117
250 PYC 0.9117
251 3FA 0.9116
252 3MH 0.9115
253 C2A 0.9114
254 GLV 0.9114
255 PYR 0.9113
256 DCY 0.9112
257 2YU 0.9110
258 MAE 0.9110
259 6MH 0.9109
260 275 0.9109
261 ALO 0.9107
262 OXD 0.9105
263 YAN 0.9101
264 GOA 0.9101
265 6SP 0.9100
266 DEN 0.9098
267 2C9 0.9096
268 EGD 0.9096
269 265 0.9096
270 AHR 0.9095
271 BMD 0.9093
272 F3V 0.9091
273 03W 0.9090
274 3MC 0.9087
275 TLD 0.9084
276 JZ3 0.9084
277 1SP 0.9082
278 TM4 0.9080
279 JZ0 0.9079
280 FAH 0.9079
281 AKR 0.9078
282 2MY 0.9075
283 2CM 0.9074
284 2PC 0.9073
285 FLM 0.9072
286 278 0.9072
287 273 0.9071
288 CP 0.9071
289 3CE 0.9071
290 HSM 0.9069
291 0CT 0.9066
292 IHG 0.9066
293 SMB 0.9065
294 C2N 0.9065
295 FFP 0.9064
296 GXV 0.9063
297 Y8I 0.9063
298 GLY 0.9062
299 A3B 0.9061
300 BUQ 0.9060
301 4SD 0.9059
302 BZF 0.9056
303 GVH 0.9055
304 2DR 0.9052
305 14J 0.9051
306 2RA 0.9049
307 HUI 0.9049
308 LER 0.9049
309 TFB 0.9046
310 0R1 0.9045
311 GMN 0.9043
312 IND 0.9042
313 DBB 0.9042
314 JZ5 0.9039
315 LZ1 0.9038
316 LEA 0.9036
317 C21 0.9034
318 R2B 0.9034
319 SIN 0.9033
320 DUB 0.9031
321 PPI 0.9030
322 BZI 0.9029
323 HGY 0.9026
324 B20 0.9025
325 PCA 0.9024
326 5Y9 0.9023
327 0PY 0.9022
328 NMU 0.9022
329 OAA 0.9019
330 PE9 0.9019
331 4JP 0.9015
332 NHY 0.9013
333 NIE 0.9010
334 2OP 0.9009
335 JBN 0.9008
336 PXO 0.9008
337 MPI 0.9006
338 P1R 0.9005
339 61G 0.9003
340 BNZ 0.9002
341 9YL 0.9002
342 TZC 0.9001
343 CHT 0.9001
344 1AB 0.8992
345 SGL 0.8986
346 7WG 0.8983
347 YHO 0.8981
348 RP7 0.8980
349 ABU 0.8977
350 MGX 0.8977
351 NAK 0.8974
352 BXO 0.8973
353 HMH 0.8973
354 PZA 0.8972
355 SLP 0.8971
356 39J 0.8967
357 T2C 0.8966
358 ALA 0.8966
359 BEN 0.8965
360 BUO 0.8962
361 SMV 0.8962
362 MTG 0.8960
363 2A1 0.8959
364 IDM 0.8958
365 FQI 0.8956
366 FYU 0.8956
367 94N 0.8956
368 6PC 0.8956
369 TSZ 0.8954
370 8H8 0.8953
371 69O 0.8953
372 DAL 0.8952
373 PYM 0.8950
374 BEZ 0.8950
375 BRP 0.8949
376 XYS 0.8948
377 HDA 0.8945
378 YCP 0.8942
379 NCA 0.8941
380 F50 0.8939
381 EDG 0.8939
382 BAM 0.8936
383 PHZ 0.8935
384 5H1 0.8933
385 1AC 0.8933
386 5MI 0.8932
387 NIO 0.8932
388 14O 0.8931
389 LMR 0.8929
390 NTN 0.8929
391 BZX 0.8927
392 24B 0.8926
393 286 0.8919
394 R8A 0.8918
395 11S 0.8915
396 5MB 0.8915
397 6AI 0.8914
398 XRG 0.8910
399 BU4 0.8910
400 2K4 0.8910
401 ATO 0.8909
402 FUM 0.8905
403 AGU 0.8905
404 F60 0.8904
405 JAB 0.8904
406 HY3 0.8901
407 DPR 0.8901
408 ES9 0.8897
409 OXQ 0.8897
410 DAB 0.8896
411 ZZT 0.8892
412 RIB 0.8892
413 DFB 0.8892
414 PRS 0.8890
415 MLT 0.8889
416 JZ1 0.8888
417 H4N 0.8887
418 NBZ 0.8882
419 HVB 0.8881
420 IVA 0.8881
421 R3W 0.8881
422 TCV 0.8881
423 23A 0.8879
424 1BP 0.8877
425 UY7 0.8877
426 BUB 0.8873
427 1XX 0.8870
428 6UA 0.8867
429 192 0.8867
430 VGL 0.8865
431 HX2 0.8861
432 FK1 0.8859
433 AX2 0.8859
434 HYP 0.8857
435 R8S 0.8857
436 R1X 0.8856
437 CRD 0.8851
438 60P 0.8851
439 9A4 0.8851
440 JZ9 0.8849
441 4XR 0.8849
442 IMR 0.8841
443 FUC 0.8840
444 5ZE 0.8840
445 JAE 0.8840
446 AKB 0.8838
447 3AY 0.8838
448 HCS 0.8838
449 NPO 0.8838
450 NMG 0.8836
451 AZF 0.8836
452 RIP 0.8834
453 IFM 0.8831
454 FLA 0.8830
455 F81 0.8829
456 8NY 0.8828
457 PBC 0.8825
458 7CZ 0.8824
459 GAG 0.8823
460 HMU 0.8823
461 XAP 0.8822
462 RSO 0.8820
463 UNU 0.8820
464 URP 0.8819
465 5AC 0.8816
466 FUL 0.8812
467 NSP 0.8812
468 0TR 0.8812
469 2ZX 0.8812
470 4HA 0.8812
471 IT2 0.8811
472 OXZ 0.8808
473 M58 0.8808
474 AC0 0.8808
475 FAN 0.8808
476 GBD 0.8807
477 ETX 0.8806
478 TB6 0.8805
479 ETF 0.8805
480 CSS 0.8802
481 ASP 0.8800
482 WDL 0.8800
483 P3K 0.8799
484 0MK 0.8799
485 CRN 0.8797
486 NVA 0.8796
487 3XX 0.8790
488 3HL 0.8787
489 13X 0.8787
490 1DW 0.8785
491 IQ0 0.8782
492 ILE 0.8782
493 SS1 0.8779
494 BAE 0.8775
495 AGK 0.8772
496 QSC 0.8770
497 9TY 0.8770
498 ETM 0.8767
499 BTL 0.8765
500 UGC 0.8765
501 SS2 0.8764
502 40E 0.8764
503 NIS 0.8760
504 AX7 0.8758
505 270 0.8758
506 DFU 0.8753
507 ISU 0.8751
508 BNS 0.8741
509 717 0.8740
510 FJO 0.8736
511 ITN 0.8735
512 2MI 0.8734
513 TF4 0.8726
514 HV2 0.8720
515 BXA 0.8719
516 GIF 0.8719
517 9EW 0.8716
518 NXA 0.8712
519 TH7 0.8710
520 P92 0.8708
521 3HR 0.8706
522 HBD 0.8705
523 1Y6 0.8704
524 ERH 0.8702
525 ALQ 0.8701
526 SAL 0.8700
527 4SV 0.8698
528 CP2 0.8694
529 JBE 0.8693
530 PAB 0.8691
531 DYA 0.8689
532 F05 0.8689
533 0RW 0.8688
534 HLR 0.8683
535 ICN 0.8676
536 HBS 0.8675
537 3CL 0.8671
538 ABV 0.8670
539 H76 0.8670
540 BE2 0.8669
541 BR8 0.8667
542 AC6 0.8665
543 2HE 0.8665
544 QUZ 0.8662
545 8GC 0.8661
546 TCZ 0.8658
547 HX3 0.8657
548 5AN 0.8650
549 O7U 0.8650
550 Z82 0.8646
551 J3K 0.8642
552 PZM 0.8639
553 P72 0.8639
554 3U4 0.8638
555 7VD 0.8636
556 IPU 0.8635
557 TEO 0.8634
558 ASN 0.8633
559 AML 0.8630
560 ES6 0.8627
561 6M9 0.8619
562 PBZ 0.8618
563 PZO 0.8617
564 SVN 0.8613
565 3HB 0.8611
566 35C 0.8609
567 XPO 0.8609
568 THE 0.8608
569 NPY 0.8604
570 826 0.8598
571 T6C 0.8597
572 XUL 0.8594
573 4ZC 0.8593
574 174 0.8589
575 4MA 0.8586
576 YRL 0.8586
577 ZZ3 0.8585
578 OK7 0.8584
579 3V4 0.8583
580 3DM 0.8582
581 TRI 0.8580
582 3AB 0.8574
583 VNJ 0.8574
584 13D 0.8569
585 HUH 0.8565
586 53C 0.8557
587 JIF 0.8555
588 1WD 0.8547
589 3NT 0.8531
590 5HN 0.8524
591 JKE 0.8522
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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