Receptor
PDB id Resolution Class Description Source Keywords
1CMP 1.9 Å EC: 1.11.1.5 SMALL MOLECULE BINDING TO AN ARTIFICIALLY CREATED CAVITY AT SITE OF CYTOCHROME C PEROXIDASE SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE(H2O2(A))
Ref.: SMALL MOLECULE BINDING TO AN ARTIFICIALLY CREATED C THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE. BIOCHEMISTRY V. 33 3807 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMI A:295;
Valid;
none;
Kd = 0.027 mM
97.138 C5 H9 N2 Cc1[n...
HEM A:296;
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: DMI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 DMI 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: DMI; Similar ligands found: 398
No: Ligand Similarity coefficient
1 MMZ 1.0000
2 HSL 0.9988
3 MB3 0.9907
4 DTI 0.9896
5 KSW 0.9872
6 3ZQ 0.9872
7 4AX 0.9870
8 CAQ 0.9777
9 L89 0.9760
10 280 0.9755
11 76X 0.9741
12 40O 0.9739
13 92Z 0.9733
14 8LG 0.9720
15 938 0.9701
16 OXE 0.9699
17 FP2 0.9689
18 JZ0 0.9671
19 93Q 0.9669
20 2OP 0.9660
21 3TR 0.9654
22 1AN 0.9647
23 OXM 0.9647
24 2AF 0.9646
25 PYR 0.9642
26 OXL 0.9629
27 AMT 0.9629
28 IPH 0.9628
29 2AI 0.9626
30 7EX 0.9622
31 LGA 0.9621
32 2MZ 0.9614
33 1MZ 0.9614
34 A2Q 0.9613
35 4AP 0.9612
36 LAC 0.9605
37 3AP 0.9603
38 DAL 0.9602
39 BEW 0.9601
40 MBN 0.9592
41 285 0.9587
42 2CH 0.9585
43 2AP 0.9584
44 HTS 0.9583
45 WOT 0.9581
46 GOL 0.9578
47 ALA 0.9574
48 4MZ 0.9572
49 NIS 0.9572
50 HGY 0.9570
51 MR3 0.9570
52 HVK 0.9568
53 HRZ 0.9560
54 5MP 0.9556
55 5KX 0.9548
56 HYN 0.9547
57 6X8 0.9542
58 4XX 0.9542
59 9PO 0.9540
60 HOW 0.9537
61 YAN 0.9528
62 DGY 0.9528
63 OXD 0.9526
64 H3M 0.9524
65 JZ6 0.9517
66 V1L 0.9498
67 278 0.9490
68 CYH 0.9488
69 DXX 0.9478
70 CXL 0.9476
71 PIH 0.9475
72 XIX 0.9466
73 NAK 0.9465
74 ES3 0.9461
75 HHN 0.9454
76 PYZ 0.9451
77 24T 0.9450
78 0PY 0.9450
79 BNZ 0.9447
80 TF4 0.9446
81 LG3 0.9443
82 2KT 0.9442
83 GBL 0.9440
84 P1R 0.9438
85 SER 0.9428
86 DUC 0.9428
87 URA 0.9421
88 B20 0.9417
89 CYT 0.9417
90 GXE 0.9409
91 MZY 0.9406
92 26D 0.9406
93 3MT 0.9405
94 TTO 0.9402
95 PHZ 0.9401
96 8GF 0.9394
97 BAQ 0.9390
98 HGW 0.9382
99 BYZ 0.9380
100 PYM 0.9377
101 CRS 0.9376
102 RCO 0.9370
103 2IM 0.9370
104 HIU 0.9369
105 3ZS 0.9368
106 5Y9 0.9367
107 LG5 0.9365
108 CYS 0.9360
109 8CL 0.9352
110 L60 0.9350
111 1CB 0.9346
112 93B 0.9340
113 DSN 0.9334
114 BVF 0.9334
115 CEJ 0.9331
116 HAI 0.9325
117 CIG 0.9322
118 TMZ 0.9322
119 E60 0.9320
120 NVI 0.9319
121 HPY 0.9317
122 ATQ 0.9314
123 3CH 0.9312
124 284 0.9312
125 TMT 0.9289
126 1AC 0.9279
127 KG7 0.9272
128 BUO 0.9265
129 HGQ 0.9248
130 B3R 0.9241
131 HUI 0.9224
132 HEW 0.9218
133 ALQ 0.9213
134 HLT 0.9205
135 HHQ 0.9199
136 WDL 0.9197
137 4H2 0.9191
138 25T 0.9191
139 M3T 0.9190
140 RSF 0.9189
141 6SP 0.9170
142 IDH 0.9170
143 1XX 0.9168
144 3FA 0.9162
145 MZ0 0.9160
146 JZ3 0.9158
147 AX2 0.9156
148 6UA 0.9147
149 URF 0.9144
150 282 0.9140
151 MBD 0.9137
152 R8A 0.9134
153 WBU 0.9131
154 NEQ 0.9130
155 TDR 0.9129
156 3MC 0.9121
157 2CM 0.9104
158 2C9 0.9103
159 FFP 0.9098
160 DCY 0.9096
161 3PY 0.9094
162 BR9 0.9092
163 3AY 0.9090
164 GLV 0.9086
165 A1U 0.9083
166 ECE 0.9083
167 27Y 0.9078
168 ICP 0.9077
169 DMG 0.9076
170 DUB 0.9073
171 PYD 0.9070
172 PYG 0.9069
173 0R0 0.9069
174 6MH 0.9064
175 5UC 0.9063
176 5ZE 0.9062
177 FLM 0.9062
178 GMN 0.9056
179 1DH 0.9056
180 DBB 0.9054
181 2ZX 0.9054
182 NK 0.9054
183 SYN 0.9053
184 A3B 0.9050
185 2DR 0.9050
186 GOA 0.9049
187 JZ1 0.9046
188 J1Z 0.9045
189 XYD 0.9045
190 PLQ 0.9044
191 DA1 0.9043
192 47J 0.9042
193 BVG 0.9040
194 ICC 0.9039
195 MWJ 0.9038
196 IMD 0.9036
197 2MY 0.9036
198 4JO 0.9035
199 286 0.9034
200 GXV 0.9033
201 PZO 0.9029
202 4HS 0.9027
203 13X 0.9026
204 TM4 0.9024
205 1PT 0.9023
206 XYP 0.9023
207 TRI 0.9023
208 03W 0.9020
209 HUH 0.9020
210 4DX 0.9017
211 JZ2 0.9016
212 AKR 0.9015
213 HBS 0.9014
214 5AN 0.9007
215 PCR 0.9004
216 HQE 0.9002
217 HBX 0.9000
218 MLA 0.8999
219 61G 0.8999
220 4JJ 0.8999
221 2RA 0.8999
222 YHO 0.8996
223 3MH 0.8995
224 MCT 0.8995
225 5MH 0.8994
226 1MC 0.8993
227 TM7 0.8993
228 ABA 0.8993
229 ABN 0.8991
230 4CL 0.8990
231 3CE 0.8989
232 4JN 0.8989
233 4CH 0.8988
234 QOS 0.8988
235 MWM 0.8987
236 4ZE 0.8980
237 HAE 0.8979
238 Y8I 0.8977
239 RP7 0.8977
240 MZG 0.8977
241 PYF 0.8977
242 PXY 0.8976
243 3GR 0.8974
244 4HO 0.8972
245 XBZ 0.8971
246 2EZ 0.8960
247 43M 0.8959
248 MLI 0.8957
249 M2H 0.8955
250 ERH 0.8953
251 NBE 0.8951
252 2AC 0.8950
253 PY7 0.8949
254 C2N 0.8948
255 FAH 0.8947
256 BZI 0.8945
257 BVC 0.8940
258 0CT 0.8940
259 25R 0.8938
260 GVH 0.8936
261 FPN 0.8935
262 IOL 0.8935
263 HBR 0.8934
264 THR 0.8933
265 TAY 0.8931
266 34A 0.8930
267 TH0 0.8929
268 FPI 0.8929
269 AHR 0.8928
270 275 0.8927
271 ALF 0.8924
272 SMB 0.8922
273 BR8 0.8921
274 9CL 0.8920
275 BZF 0.8919
276 F50 0.8919
277 2MP 0.8916
278 PYJ 0.8915
279 0R1 0.8907
280 HVQ 0.8906
281 LZ1 0.8902
282 1MR 0.8902
283 BML 0.8901
284 DCD 0.8899
285 IND 0.8892
286 LG4 0.8890
287 3OH 0.8885
288 1AB 0.8885
289 MPI 0.8884
290 HT4 0.8882
291 94N 0.8882
292 GLY 0.8881
293 VAL 0.8880
294 5AC 0.8880
295 C5J 0.8879
296 KIV 0.8876
297 2YU 0.8872
298 APY 0.8870
299 NHY 0.8868
300 5JC 0.8867
301 GAG 0.8863
302 XYS 0.8860
303 IUR 0.8858
304 EDG 0.8857
305 MEU 0.8853
306 PPF 0.8852
307 51F 0.8852
308 TLD 0.8852
309 192 0.8849
310 OXQ 0.8846
311 MMU 0.8842
312 39J 0.8841
313 DEN 0.8831
314 B24 0.8826
315 FPY 0.8823
316 HPA 0.8817
317 TCZ 0.8816
318 MLT 0.8814
319 MGX 0.8811
320 F3V 0.8808
321 AGU 0.8807
322 ADE 0.8805
323 YTB 0.8802
324 NIE 0.8801
325 0TR 0.8797
326 7HP 0.8797
327 JZ9 0.8796
328 PPI 0.8793
329 23W 0.8788
330 BAL 0.8783
331 ALO 0.8780
332 PRI 0.8780
333 7CZ 0.8779
334 9HX 0.8771
335 9TY 0.8771
336 HVB 0.8768
337 RIB 0.8767
338 6HQ 0.8766
339 AKB 0.8765
340 TSZ 0.8759
341 MAK 0.8754
342 IDM 0.8752
343 4JU 0.8752
344 PM6 0.8745
345 HY3 0.8744
346 NMU 0.8740
347 LER 0.8731
348 2A1 0.8730
349 9X7 0.8727
350 MRY 0.8724
351 9DA 0.8722
352 R3W 0.8720
353 NCM 0.8720
354 7WA 0.8719
355 6MP 0.8717
356 ES4 0.8716
357 R2B 0.8712
358 FW5 0.8710
359 OHG 0.8709
360 ZZ3 0.8704
361 GBD 0.8703
362 10L 0.8700
363 FOA 0.8696
364 BAE 0.8695
365 HSE 0.8693
366 HCS 0.8686
367 BTE 0.8677
368 2MH 0.8673
369 LDU 0.8666
370 DAB 0.8665
371 BP1 0.8660
372 3Z7 0.8659
373 3XX 0.8650
374 ETF 0.8650
375 AMC 0.8645
376 JIF 0.8640
377 4JP 0.8638
378 JAB 0.8630
379 KYD 0.8627
380 PYC 0.8624
381 60P 0.8617
382 BRP 0.8617
383 150 0.8584
384 O7U 0.8582
385 H76 0.8580
386 FLA 0.8576
387 ASP 0.8574
388 IP0 0.8573
389 F81 0.8570
390 FUB 0.8563
391 7MH 0.8560
392 CHT 0.8542
393 D2P 0.8542
394 12M 0.8540
395 45C 0.8539
396 RUU 0.8530
397 SVN 0.8521
398 PAV 0.8520
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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