Receptor
PDB id Resolution Class Description Source Keywords
1AEB 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 (3- 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
3MT A:296;
 Valid;
 none;
 submit data
100.162 C4 H6 N S C[n+]...
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: 3MT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3MT 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 3MT; Similar ligands found: 408
No: Ligand Similarity coefficient
1 1CB 0.9979
2 CYH 0.9970
3 BAQ 0.9959
4 MZY 0.9936
5 AMT 0.9927
6 3TR 0.9912
7 MR3 0.9903
8 4MZ 0.9902
9 GBL 0.9900
10 5MP 0.9898
11 2MZ 0.9891
12 HOW 0.9883
13 1MZ 0.9882
14 2AI 0.9877
15 ATQ 0.9870
16 V1L 0.9869
17 CXL 0.9860
18 5KX 0.9850
19 HAI 0.9850
20 BYZ 0.9848
21 JZ6 0.9840
22 IPH 0.9822
23 3AP 0.9812
24 7EX 0.9802
25 ES3 0.9801
26 MBN 0.9800
27 HVK 0.9797
28 2AP 0.9797
29 WOT 0.9797
30 LGA 0.9787
31 4AP 0.9786
32 GOL 0.9782
33 A2Q 0.9782
34 HRZ 0.9777
35 9PO 0.9776
36 8CL 0.9761
37 PYZ 0.9743
38 2IM 0.9739
39 GXE 0.9725
40 3ZS 0.9718
41 HHN 0.9705
42 6SP 0.9681
43 GOA 0.9673
44 TTO 0.9662
45 93B 0.9660
46 OXL 0.9652
47 L60 0.9650
48 PYR 0.9641
49 HYN 0.9638
50 MZ0 0.9635
51 24T 0.9622
52 HGW 0.9622
53 OXM 0.9621
54 PIH 0.9614
55 XIX 0.9611
56 LAC 0.9608
57 DAL 0.9605
58 HSL 0.9604
59 AKR 0.9604
60 GLV 0.9597
61 NHY 0.9593
62 HGY 0.9593
63 3OH 0.9591
64 HAE 0.9583
65 MGX 0.9580
66 ALA 0.9570
67 25T 0.9565
68 NMU 0.9564
69 F50 0.9552
70 PPI 0.9550
71 FAH 0.9543
72 B20 0.9541
73 2KT 0.9541
74 CEJ 0.9540
75 0PY 0.9536
76 P1R 0.9534
77 OXD 0.9528
78 NVI 0.9525
79 GLY 0.9523
80 DTI 0.9515
81 BNZ 0.9514
82 NIE 0.9512
83 2OP 0.9510
84 1DH 0.9506
85 E60 0.9502
86 F3V 0.9497
87 KSW 0.9493
88 HVB 0.9489
89 MB3 0.9488
90 AGU 0.9487
91 HIU 0.9484
92 PHZ 0.9483
93 2A1 0.9481
94 MMZ 0.9478
95 DGY 0.9471
96 BUO 0.9467
97 BVC 0.9442
98 3GR 0.9441
99 DMG 0.9437
100 BAL 0.9432
101 MEU 0.9429
102 MMU 0.9427
103 R3W 0.9422
104 PYM 0.9421
105 61G 0.9414
106 CYS 0.9414
107 HVQ 0.9406
108 DMI 0.9405
109 BVG 0.9405
110 NAK 0.9395
111 DXX 0.9395
112 4AX 0.9383
113 PZO 0.9382
114 3PY 0.9371
115 ATO 0.9369
116 5Y9 0.9361
117 FPI 0.9357
118 TSZ 0.9354
119 BUA 0.9349
120 282 0.9343
121 SER 0.9336
122 KG7 0.9328
123 1BP 0.9327
124 HUH 0.9319
125 ABA 0.9315
126 3ZQ 0.9312
127 DSN 0.9309
128 AMC 0.9309
129 NIS 0.9307
130 2HA 0.9305
131 C5J 0.9305
132 IMD 0.9298
133 EGD 0.9292
134 PXO 0.9291
135 CRS 0.9291
136 BRP 0.9289
137 2EZ 0.9285
138 MLI 0.9285
139 SAR 0.9280
140 H3M 0.9277
141 4XX 0.9272
142 J3K 0.9270
143 MLA 0.9258
144 285 0.9256
145 HPY 0.9256
146 TRI 0.9252
147 MLM 0.9251
148 DUC 0.9250
149 HBX 0.9249
150 26D 0.9249
151 TCV 0.9249
152 URA 0.9238
153 TMT 0.9236
154 SYN 0.9236
155 LG3 0.9232
156 PYF 0.9228
157 NBE 0.9228
158 CYT 0.9226
159 4JU 0.9225
160 HBS 0.9220
161 ALQ 0.9218
162 RCO 0.9209
163 40O 0.9206
164 LG5 0.9198
165 8GF 0.9198
166 BVF 0.9185
167 CIG 0.9184
168 ABN 0.9183
169 PY7 0.9181
170 TF4 0.9177
171 ECE 0.9173
172 APY 0.9170
173 3CH 0.9170
174 93Q 0.9170
175 25R 0.9162
176 TMZ 0.9161
177 PCR 0.9160
178 GXV 0.9160
179 LG4 0.9154
180 HGQ 0.9153
181 4HS 0.9153
182 4H2 0.9150
183 8LG 0.9147
184 BXA 0.9147
185 HQE 0.9144
186 1AC 0.9140
187 DA1 0.9140
188 BEW 0.9137
189 PXY 0.9135
190 HEW 0.9133
191 P2D 0.9133
192 CAQ 0.9131
193 2MH 0.9129
194 HHQ 0.9127
195 BMD 0.9125
196 PRI 0.9120
197 B3R 0.9119
198 M3T 0.9118
199 ALF 0.9115
200 280 0.9114
201 AOA 0.9113
202 4JN 0.9113
203 9CL 0.9112
204 DCY 0.9111
205 JZ0 0.9110
206 PLQ 0.9108
207 284 0.9108
208 938 0.9107
209 L89 0.9106
210 FPN 0.9102
211 ICC 0.9100
212 BUQ 0.9099
213 92Z 0.9093
214 BML 0.9093
215 PYJ 0.9092
216 HUI 0.9090
217 1MR 0.9087
218 1AN 0.9087
219 4CH 0.9078
220 BU4 0.9074
221 FP2 0.9071
222 2AF 0.9071
223 76X 0.9071
224 XAP 0.9069
225 03W 0.9069
226 HTS 0.9064
227 IOL 0.9057
228 ETF 0.9057
229 OXE 0.9054
230 VAL 0.9053
231 J1Z 0.9052
232 2RA 0.9051
233 3CL 0.9050
234 A3B 0.9034
235 DBB 0.9034
236 SMB 0.9034
237 HBR 0.9029
238 CP2 0.9026
239 2CH 0.9024
240 9A4 0.9020
241 CRD 0.9017
242 278 0.9008
243 2A3 0.9003
244 6X8 0.9001
245 SLP 0.8996
246 RP7 0.8993
247 B24 0.8990
248 DE2 0.8988
249 D2P 0.8974
250 IDH 0.8960
251 3BB 0.8952
252 39J 0.8951
253 CHT 0.8946
254 FW5 0.8933
255 C2N 0.8932
256 MAK 0.8922
257 OHG 0.8916
258 MZW 0.8905
259 MTG 0.8902
260 FOA 0.8900
261 PYC 0.8895
262 KIV 0.8893
263 JBN 0.8888
264 ITU 0.8887
265 23W 0.8873
266 YAN 0.8870
267 PRO 0.8868
268 TZC 0.8867
269 TAN 0.8857
270 TP5 0.8856
271 BP9 0.8854
272 TAY 0.8845
273 ACT 0.8838
274 YHO 0.8834
275 THR 0.8828
276 1DU 0.8822
277 ACM 0.8820
278 CNH 0.8819
279 MTD 0.8817
280 ICP 0.8815
281 BUB 0.8815
282 RSF 0.8812
283 TDR 0.8811
284 2HE 0.8811
285 URF 0.8810
286 SMV 0.8808
287 JAB 0.8806
288 NCM 0.8803
289 WBU 0.8796
290 2PC 0.8795
291 3MC 0.8793
292 MSF 0.8781
293 AAE 0.8780
294 SEY 0.8777
295 265 0.8776
296 MBD 0.8771
297 TFB 0.8771
298 1MC 0.8769
299 MCT 0.8767
300 9X7 0.8765
301 PPF 0.8764
302 HV2 0.8760
303 2AC 0.8756
304 5UC 0.8753
305 GVH 0.8745
306 HLT 0.8743
307 4ZE 0.8740
308 A1U 0.8739
309 4JP 0.8739
310 XYD 0.8738
311 273 0.8738
312 MWM 0.8737
313 192 0.8737
314 FPY 0.8736
315 LER 0.8733
316 C21 0.8730
317 27Y 0.8728
318 2MP 0.8728
319 4HO 0.8728
320 JZ3 0.8727
321 TH0 0.8726
322 34A 0.8726
323 4CL 0.8725
324 BR9 0.8722
325 XBZ 0.8721
326 PUT 0.8721
327 FJO 0.8719
328 6MH 0.8718
329 4JJ 0.8716
330 MPI 0.8715
331 HSW 0.8715
332 FLM 0.8712
333 0R1 0.8711
334 2C9 0.8710
335 FFP 0.8709
336 BZF 0.8709
337 JZ2 0.8708
338 5MH 0.8708
339 3HL 0.8707
340 GMN 0.8706
341 PYG 0.8706
342 3FA 0.8705
343 IND 0.8705
344 3HR 0.8704
345 VSO 0.8702
346 ALO 0.8700
347 ETX 0.8699
348 DEN 0.8699
349 NK 0.8698
350 LZ1 0.8698
351 BZI 0.8698
352 2MY 0.8697
353 4JO 0.8690
354 3CE 0.8689
355 MZG 0.8688
356 BXO 0.8684
357 DUB 0.8683
358 R8A 0.8680
359 0CT 0.8679
360 TB0 0.8676
361 43M 0.8673
362 MWJ 0.8669
363 2CM 0.8666
364 HT4 0.8663
365 CP 0.8652
366 1XX 0.8650
367 TM7 0.8647
368 0R0 0.8646
369 BAE 0.8646
370 DTU 0.8637
371 5JC 0.8637
372 MRY 0.8637
373 DPR 0.8633
374 PRS 0.8630
375 TM4 0.8629
376 IUR 0.8628
377 OXQ 0.8626
378 AF3 0.8625
379 5AC 0.8623
380 GBD 0.8623
381 SGL 0.8621
382 JZ5 0.8620
383 2YU 0.8620
384 AXO 0.8619
385 IVA 0.8610
386 IDM 0.8610
387 DAB 0.8603
388 1SP 0.8602
389 ETM 0.8602
390 AX2 0.8596
391 DTL 0.8591
392 BEZ 0.8585
393 47J 0.8584
394 BEN 0.8584
395 3MH 0.8582
396 AKB 0.8564
397 NBZ 0.8563
398 BTL 0.8561
399 M58 0.8557
400 IQ0 0.8554
401 6PC 0.8552
402 PZA 0.8552
403 286 0.8550
404 XPO 0.8544
405 WDL 0.8535
406 1AB 0.8530
407 XYS 0.8520
408 SS2 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
APoc FAQ
Feedback