Receptor
PDB id Resolution Class Description Source Keywords
1ac8 2.1 Å EC: 1.11.1.5 VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (3,4,5-TRIMETHYLTHIAZOLE) SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE PEROXIDASE TRANSIT PEPTIDE
Ref.: VARIATION IN STRENGTH OF AN UNCONVENTIONAL C-H TO O HYDROGEN BOND IN AN ENGINEERED PROTEIN CAVITY J.AM.CHEM.SOC. V. 119 626 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:295;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
TMZ A:296;
 Valid;
 none;
 submit data
128.215 C6 H10 N S Cc1c(...
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: TMZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TMZ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TMZ; Similar ligands found: 687
No: Ligand Similarity coefficient
1 TMT 1.0000
2 4XX 0.9989
3 PYG 0.9848
4 3ZQ 0.9822
5 2C9 0.9796
6 FLM 0.9792
7 3MC 0.9791
8 TM4 0.9783
9 MBD 0.9780
10 2MY 0.9768
11 GMN 0.9768
12 3FA 0.9766
13 3CE 0.9762
14 FFP 0.9762
15 VAL 0.9747
16 2CM 0.9746
17 3MH 0.9724
18 6MH 0.9720
19 KIV 0.9717
20 4JU 0.9711
21 40O 0.9703
22 DUB 0.9693
23 XYP 0.9671
24 CXL 0.9667
25 2MH 0.9664
26 CYH 0.9661
27 OXE 0.9654
28 CAQ 0.9640
29 92Z 0.9635
30 LG4 0.9634
31 PCR 0.9628
32 L89 0.9619
33 25T 0.9618
34 8LG 0.9616
35 HQE 0.9614
36 DA1 0.9612
37 LXC 0.9611
38 FPN 0.9609
39 MAK 0.9609
40 FP2 0.9607
41 PLQ 0.9599
42 1DH 0.9597
43 IPH 0.9597
44 2IM 0.9596
45 PXY 0.9592
46 94N 0.9590
47 76X 0.9590
48 25R 0.9590
49 MBN 0.9587
50 4CH 0.9587
51 HAI 0.9580
52 BEW 0.9574
53 2CH 0.9571
54 1AN 0.9570
55 1MC 0.9569
56 93Q 0.9568
57 HTS 0.9567
58 BML 0.9566
59 938 0.9565
60 2AF 0.9564
61 JZ0 0.9564
62 4JN 0.9559
63 8CL 0.9559
64 4HS 0.9558
65 V1L 0.9547
66 WOT 0.9547
67 6X8 0.9546
68 PYD 0.9545
69 ICP 0.9545
70 GXE 0.9544
71 3AP 0.9544
72 2AP 0.9543
73 HVK 0.9543
74 XYS 0.9540
75 KSW 0.9539
76 4AP 0.9536
77 HRZ 0.9527
78 LGA 0.9527
79 TDR 0.9525
80 HIU 0.9523
81 A2Q 0.9518
82 5UC 0.9517
83 MMZ 0.9516
84 4JO 0.9513
85 TTO 0.9512
86 DGY 0.9510
87 5MH 0.9509
88 DXX 0.9505
89 TH0 0.9505
90 URF 0.9505
91 YAN 0.9502
92 CEJ 0.9500
93 WBU 0.9499
94 DTI 0.9499
95 CRS 0.9497
96 XYD 0.9495
97 24T 0.9495
98 280 0.9488
99 23A 0.9488
100 43M 0.9487
101 RSF 0.9486
102 F81 0.9480
103 2MP 0.9480
104 A1U 0.9478
105 9PO 0.9477
106 34A 0.9477
107 MCT 0.9476
108 HSL 0.9475
109 ECE 0.9473
110 HYN 0.9471
111 XBZ 0.9470
112 E60 0.9468
113 MB3 0.9468
114 IOL 0.9467
115 2AC 0.9466
116 DFB 0.9464
117 4HO 0.9462
118 JZ3 0.9458
119 JZ2 0.9458
120 AHR 0.9457
121 4ZE 0.9453
122 HHN 0.9453
123 MWM 0.9449
124 ALO 0.9444
125 1XX 0.9440
126 RCO 0.9440
127 CYS 0.9440
128 PIH 0.9438
129 4JJ 0.9438
130 2KT 0.9436
131 4CL 0.9431
132 NK 0.9430
133 AMC 0.9430
134 KG7 0.9429
135 CYT 0.9424
136 284 0.9422
137 IUR 0.9418
138 0R0 0.9418
139 HGQ 0.9415
140 BR9 0.9413
141 LG3 0.9410
142 282 0.9409
143 DMG 0.9403
144 HBX 0.9397
145 1PT 0.9397
146 FPI 0.9396
147 275 0.9394
148 TLD 0.9391
149 XIX 0.9390
150 2YU 0.9390
151 285 0.9390
152 DSN 0.9388
153 BVF 0.9388
154 HGW 0.9385
155 TM7 0.9384
156 URA 0.9384
157 MZG 0.9382
158 NEQ 0.9382
159 27Y 0.9382
160 NBE 0.9380
161 3CH 0.9380
162 QOS 0.9379
163 IFM 0.9378
164 8GF 0.9378
165 HT4 0.9371
166 LG5 0.9370
167 26D 0.9367
168 3PY 0.9363
169 MWJ 0.9357
170 HEW 0.9357
171 7EX 0.9357
172 R8A 0.9351
173 5JC 0.9351
174 CIG 0.9342
175 FPY 0.9342
176 PYF 0.9339
177 RIB 0.9339
178 4H2 0.9337
179 B3R 0.9333
180 0TR 0.9332
181 P3K 0.9331
182 IDH 0.9330
183 AZF 0.9326
184 J1Z 0.9323
185 DMI 0.9322
186 MLA 0.9320
187 9TY 0.9319
188 M3T 0.9317
189 93B 0.9314
190 4AX 0.9310
191 SYN 0.9303
192 ICC 0.9301
193 SER 0.9292
194 DUC 0.9290
195 H3M 0.9290
196 OXZ 0.9286
197 ARB 0.9285
198 ABN 0.9284
199 HHQ 0.9279
200 THR 0.9278
201 23W 0.9277
202 OXQ 0.9275
203 5AC 0.9275
204 HY3 0.9274
205 7CZ 0.9273
206 64K 0.9269
207 L60 0.9268
208 286 0.9260
209 Y8I 0.9258
210 P2D 0.9258
211 0MK 0.9257
212 JZ1 0.9257
213 MLI 0.9250
214 MRY 0.9246
215 YHO 0.9241
216 JIF 0.9241
217 MZW 0.9238
218 AMT 0.9236
219 RIP 0.9235
220 4JP 0.9234
221 MZ0 0.9232
222 HBA 0.9231
223 HMH 0.9225
224 GBD 0.9225
225 GVH 0.9224
226 F05 0.9221
227 1AB 0.9220
228 HPY 0.9218
229 PY7 0.9217
230 BP9 0.9216
231 JFD 0.9215
232 DEN 0.9215
233 IND 0.9211
234 278 0.9211
235 R1X 0.9210
236 1MR 0.9210
237 R2B 0.9210
238 FLA 0.9207
239 0CT 0.9206
240 0R1 0.9205
241 FYU 0.9202
242 PRO 0.9201
243 OXM 0.9199
244 60P 0.9198
245 1CB 0.9197
246 IMR 0.9196
247 BZF 0.9196
248 EDG 0.9194
249 YTB 0.9194
250 OXL 0.9193
251 A3B 0.9192
252 DBB 0.9192
253 ABA 0.9190
254 BZI 0.9189
255 MPI 0.9187
256 2RA 0.9187
257 GAG 0.9187
258 G6D 0.9183
259 APY 0.9181
260 24B 0.9181
261 9CL 0.9180
262 BTE 0.9179
263 FUC 0.9178
264 3XX 0.9178
265 LZ1 0.9175
266 PYR 0.9175
267 FUL 0.9173
268 35C 0.9171
269 ARA 0.9169
270 SVN 0.9167
271 LDU 0.9162
272 3MT 0.9161
273 PYJ 0.9159
274 BAQ 0.9158
275 IDM 0.9157
276 SEJ 0.9154
277 9EW 0.9154
278 4VP 0.9153
279 SWD 0.9149
280 LAC 0.9142
281 1AC 0.9142
282 4JL 0.9141
283 NVI 0.9139
284 PHB 0.9139
285 ADE 0.9139
286 HLR 0.9136
287 265 0.9135
288 T6C 0.9131
289 03W 0.9128
290 B24 0.9127
291 XXR 0.9126
292 4MZ 0.9125
293 ATQ 0.9124
294 7MH 0.9120
295 260 0.9117
296 DTU 0.9114
297 DAB 0.9111
298 5Y9 0.9108
299 KYD 0.9108
300 6AI 0.9107
301 BZX 0.9107
302 MZY 0.9102
303 HPA 0.9102
304 HMU 0.9102
305 GLC 0.9102
306 3TR 0.9099
307 9X7 0.9096
308 HUI 0.9095
309 OHG 0.9092
310 ZZT 0.9091
311 4DX 0.9091
312 C5J 0.9091
313 DAL 0.9089
314 3DM 0.9088
315 M2H 0.9088
316 1WG 0.9088
317 0RW 0.9086
318 2OP 0.9085
319 2MZ 0.9084
320 BYZ 0.9077
321 DCY 0.9076
322 8H8 0.9075
323 DFU 0.9074
324 H8N 0.9073
325 5KX 0.9073
326 5MP 0.9072
327 150 0.9072
328 C2N 0.9071
329 JZ9 0.9069
330 BP1 0.9068
331 HOW 0.9068
332 6HQ 0.9067
333 MR3 0.9067
334 GBL 0.9066
335 1MZ 0.9065
336 7WA 0.9063
337 JZ6 0.9063
338 ES3 0.9062
339 4JM 0.9062
340 2AI 0.9059
341 SMV 0.9059
342 NSP 0.9057
343 ALA 0.9057
344 47J 0.9055
345 3U4 0.9054
346 SAL 0.9053
347 NOJ 0.9049
348 4XR 0.9048
349 TC7 0.9044
350 5MI 0.9043
351 BE2 0.9042
352 5H1 0.9042
353 FBA 0.9040
354 5MB 0.9040
355 FOA 0.9038
356 6MP 0.9038
357 BUO 0.9036
358 F4Z 0.9035
359 14O 0.9034
360 4SV 0.9033
361 PYM 0.9032
362 TBP 0.9032
363 DTL 0.9027
364 HGY 0.9026
365 ES9 0.9024
366 JBE 0.9024
367 PM6 0.9022
368 F60 0.9021
369 2K4 0.9021
370 2DR 0.9021
371 9HX 0.9020
372 FCA 0.9020
373 ILE 0.9019
374 HVQ 0.9018
375 2CQ 0.9017
376 PYZ 0.9017
377 OXD 0.9016
378 6M9 0.9015
379 ABE 0.9015
380 C2B 0.9014
381 B20 0.9013
382 9DA 0.9013
383 PYC 0.9012
384 ES4 0.9009
385 1WD 0.9008
386 11S 0.9008
387 2PC 0.9006
388 7HP 0.9005
389 ES6 0.9002
390 45C 0.9001
391 BVC 0.9000
392 G2F 0.8999
393 LER 0.8997
394 TP5 0.8996
395 10L 0.8996
396 PAF 0.8994
397 BNZ 0.8992
398 RP7 0.8992
399 H4N 0.8987
400 JAE 0.8987
401 2ZV 0.8986
402 0PY 0.8986
403 6UA 0.8986
404 BEZ 0.8983
405 RM4 0.8981
406 AKB 0.8981
407 B53 0.8980
408 TZC 0.8979
409 NBZ 0.8978
410 6M4 0.8977
411 JBN 0.8975
412 BVG 0.8974
413 FK1 0.8973
414 BEN 0.8973
415 3Z7 0.8970
416 GOO 0.8969
417 C21 0.8966
418 NCA 0.8966
419 6F0 0.8965
420 PHZ 0.8963
421 LMR 0.8961
422 GOL 0.8960
423 TH7 0.8959
424 MMU 0.8958
425 G3F 0.8953
426 GRE 0.8950
427 P1R 0.8946
428 1DU 0.8943
429 JKE 0.8941
430 NAK 0.8941
431 NIS 0.8938
432 FUB 0.8935
433 HSE 0.8935
434 5AN 0.8934
435 TFB 0.8933
436 MEU 0.8932
437 273 0.8931
438 2ZX 0.8931
439 IFL 0.8930
440 8NY 0.8929
441 YCP 0.8925
442 FUF 0.8925
443 PZA 0.8925
444 JAB 0.8924
445 AX2 0.8924
446 6M1 0.8923
447 IT2 0.8921
448 WDL 0.8919
449 7B4 0.8916
450 6PC 0.8915
451 EXO 0.8914
452 ADZ 0.8913
453 25W 0.8910
454 QUZ 0.8908
455 EQT 0.8908
456 BGC 0.8905
457 MLT 0.8903
458 3SK 0.8901
459 PRS 0.8900
460 7WV 0.8898
461 VGL 0.8896
462 JZ5 0.8896
463 DCD 0.8896
464 FCB 0.8894
465 2HA 0.8894
466 NPY 0.8892
467 HBS 0.8890
468 192 0.8887
469 M1A 0.8887
470 RAM 0.8887
471 270 0.8885
472 VNJ 0.8885
473 BAM 0.8882
474 69O 0.8879
475 82I 0.8877
476 NOY 0.8873
477 RNS 0.8873
478 L3Q 0.8872
479 NIO 0.8871
480 NTN 0.8871
481 3AY 0.8871
482 JBK 0.8871
483 HIO 0.8871
484 UNU 0.8868
485 13X 0.8864
486 AAE 0.8862
487 H76 0.8857
488 MSN 0.8854
489 2XX 0.8850
490 67N 0.8849
491 C2A 0.8849
492 3M0 0.8847
493 ADK 0.8846
494 2EZ 0.8846
495 PAE 0.8845
496 3ZS 0.8844
497 MFB 0.8844
498 5ZE 0.8843
499 3F0 0.8841
500 AGK 0.8840
501 HX3 0.8840
502 ABV 0.8839
503 3HA 0.8838
504 AX7 0.8837
505 IP0 0.8837
506 DIE 0.8836
507 BR8 0.8835
508 BAL 0.8834
509 DBH 0.8833
510 PCA 0.8831
511 P92 0.8829
512 4ZC 0.8828
513 3RK 0.8828
514 I3A 0.8826
515 2MI 0.8826
516 CRN 0.8825
517 6SP 0.8825
518 PAV 0.8824
519 MAN 0.8820
520 TF4 0.8820
521 OAA 0.8819
522 M58 0.8818
523 7HQ 0.8816
524 KOJ 0.8814
525 MAE 0.8813
526 BAE 0.8812
527 261 0.8811
528 HCS 0.8810
529 PRI 0.8808
530 Z6J 0.8806
531 FAN 0.8805
532 32O 0.8803
533 3OH 0.8803
534 ASO 0.8800
535 QSC 0.8799
536 RSO 0.8799
537 12M 0.8798
538 KPL 0.8797
539 1DW 0.8797
540 AC0 0.8793
541 2CK 0.8791
542 RUU 0.8786
543 SS1 0.8783
544 9YL 0.8781
545 FP1 0.8780
546 XQ0 0.8779
547 ALQ 0.8777
548 XBT 0.8777
549 M1E 0.8776
550 LZM 0.8770
551 GIF 0.8769
552 CP 0.8768
553 NPO 0.8767
554 5Q0 0.8766
555 SS2 0.8766
556 5SG 0.8765
557 7W4 0.8763
558 PBC 0.8762
559 SRT 0.8761
560 1NP 0.8761
561 ITN 0.8756
562 R8S 0.8754
563 DOB 0.8753
564 GUN 0.8752
565 TCZ 0.8751
566 SIN 0.8749
567 BHA 0.8747
568 4M0 0.8746
569 TAR 0.8746
570 GIO 0.8745
571 SAR 0.8743
572 HQY 0.8743
573 XAN 0.8743
574 GYE 0.8740
575 FA0 0.8736
576 ISN 0.8734
577 42A 0.8733
578 LCN 0.8733
579 HHA 0.8732
580 9DG 0.8728
581 KKN 0.8728
582 ERH 0.8726
583 GAL 0.8722
584 AZA 0.8721
585 ES1 0.8714
586 NVA 0.8714
587 5NU 0.8713
588 TZE 0.8712
589 DMJ 0.8710
590 UY7 0.8708
591 F5B 0.8707
592 4PW 0.8706
593 51F 0.8705
594 SJ5 0.8705
595 4XH 0.8700
596 ITU 0.8698
597 3MA 0.8698
598 141 0.8697
599 MNM 0.8697
600 O7U 0.8696
601 1XM 0.8695
602 2LP 0.8692
603 6AP 0.8691
604 PBE 0.8691
605 IGA 0.8690
606 290 0.8689
607 A2F 0.8687
608 HH8 0.8686
609 FQI 0.8683
610 BUA 0.8681
611 1LN 0.8680
612 5CU 0.8678
613 14J 0.8678
614 0CU 0.8676
615 4YS 0.8676
616 TLA 0.8676
617 8GC 0.8676
618 XUL 0.8675
619 2D0 0.8675
620 RB5 0.8670
621 NMJ 0.8670
622 CFP 0.8669
623 URP 0.8668
624 ES7 0.8665
625 AZG 0.8664
626 BSX 0.8664
627 HH5 0.8663
628 ARW 0.8662
629 6GU 0.8661
630 7WG 0.8658
631 RHU 0.8658
632 DX4 0.8658
633 1LM 0.8654
634 O72 0.8654
635 B57 0.8653
636 39A 0.8652
637 1SQ 0.8651
638 6KX 0.8651
639 HSM 0.8650
640 1XN 0.8650
641 A65 0.8647
642 BNS 0.8643
643 SHG 0.8643
644 ZBT 0.8641
645 BOA 0.8637
646 HYP 0.8633
647 XQG 0.8632
648 BCP 0.8631
649 KP6 0.8631
650 FDB 0.8629
651 JZ4 0.8623
652 JBH 0.8621
653 JPZ 0.8621
654 5WX 0.8620
655 1LQ 0.8620
656 5WV 0.8616
657 3DO 0.8613
658 717 0.8611
659 ASN 0.8607
660 LRH 0.8600
661 PAB 0.8597
662 PBZ 0.8596
663 HBD 0.8594
664 1Y6 0.8592
665 40E 0.8591
666 174 0.8591
667 5VM 0.8591
668 P72 0.8590
669 BHO 0.8590
670 KJY 0.8589
671 5IQ 0.8587
672 N5J 0.8586
673 S76 0.8578
674 Z82 0.8576
675 DGJ 0.8570
676 G5V 0.8564
677 FW5 0.8559
678 ZZ3 0.8556
679 AC6 0.8553
680 7VJ 0.8552
681 3NT 0.8544
682 24W 0.8541
683 2A9 0.8536
684 GAB 0.8533
685 3AB 0.8527
686 3V4 0.8521
687 3HB 0.8504
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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