Receptor
PDB id Resolution Class Description Source Keywords
1aeh 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-4- 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
24T A:296;
 Valid;
 none;
 submit data
114.169 C4 H6 N2 S Cc1cs...
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: 24T; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 24T 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 24T; Similar ligands found: 605
No: Ligand Similarity coefficient
1 HYN 0.9967
2 CEJ 0.9935
3 DMG 0.9935
4 RCO 0.9898
5 CRS 0.9893
6 25T 0.9888
7 E60 0.9883
8 3CH 0.9853
9 284 0.9848
10 BVF 0.9846
11 XIX 0.9837
12 LG3 0.9827
13 CYT 0.9827
14 LG5 0.9817
15 URA 0.9812
16 DUC 0.9796
17 26D 0.9790
18 CYH 0.9787
19 MLA 0.9786
20 CXL 0.9785
21 8GF 0.9774
22 MLI 0.9763
23 4H2 0.9759
24 MLM 0.9754
25 CIG 0.9748
26 B3R 0.9746
27 C5J 0.9742
28 HAI 0.9741
29 M3T 0.9732
30 HEW 0.9712
31 HGQ 0.9709
32 1DH 0.9705
33 P2D 0.9700
34 IPH 0.9693
35 MBN 0.9665
36 2IM 0.9663
37 2AP 0.9648
38 GXE 0.9645
39 3AP 0.9645
40 WOT 0.9640
41 GOL 0.9638
42 285 0.9629
43 3MT 0.9622
44 V1L 0.9622
45 HSL 0.9612
46 9PO 0.9611
47 4AP 0.9611
48 DGY 0.9609
49 3GR 0.9607
50 HVK 0.9606
51 3ZQ 0.9606
52 H3M 0.9600
53 HHQ 0.9597
54 HRZ 0.9595
55 LGA 0.9589
56 7EX 0.9587
57 A2Q 0.9587
58 2KT 0.9586
59 HPY 0.9574
60 4JU 0.9570
61 DTI 0.9561
62 IDH 0.9560
63 TMT 0.9558
64 BAQ 0.9548
65 CYS 0.9539
66 TTO 0.9536
67 MZ0 0.9531
68 8CL 0.9530
69 MMZ 0.9529
70 DTL 0.9528
71 MB3 0.9520
72 1CB 0.9520
73 HHN 0.9506
74 HIU 0.9501
75 TMZ 0.9495
76 4MZ 0.9493
77 MZW 0.9491
78 AMT 0.9490
79 40O 0.9483
80 FPI 0.9475
81 ATQ 0.9463
82 2MH 0.9463
83 2MZ 0.9462
84 AAE 0.9460
85 KG7 0.9455
86 PIH 0.9454
87 4XX 0.9453
88 DMI 0.9450
89 LG4 0.9450
90 AMC 0.9448
91 KSW 0.9446
92 280 0.9446
93 DSN 0.9444
94 282 0.9441
95 3TR 0.9433
96 1MZ 0.9433
97 5MP 0.9431
98 HGW 0.9425
99 MEU 0.9425
100 GBL 0.9424
101 ECE 0.9424
102 NVI 0.9423
103 BVC 0.9421
104 CAQ 0.9420
105 23W 0.9420
106 93B 0.9420
107 DXX 0.9417
108 25R 0.9415
109 PYF 0.9413
110 L60 0.9413
111 PXY 0.9410
112 SER 0.9409
113 RSF 0.9404
114 HOW 0.9404
115 PCR 0.9403
116 FW5 0.9402
117 HQE 0.9401
118 2AI 0.9399
119 HBX 0.9397
120 L89 0.9395
121 1AN 0.9395
122 APY 0.9391
123 BYZ 0.9391
124 MZY 0.9391
125 5KX 0.9389
126 OXE 0.9387
127 8LG 0.9384
128 PLQ 0.9382
129 FP2 0.9378
130 OHG 0.9366
131 MR3 0.9358
132 BEW 0.9356
133 92Z 0.9356
134 JZ6 0.9355
135 3PY 0.9353
136 DA1 0.9351
137 HVQ 0.9349
138 93Q 0.9348
139 J1Z 0.9346
140 ES3 0.9344
141 SYN 0.9338
142 MMU 0.9333
143 2CH 0.9333
144 76X 0.9332
145 4HS 0.9332
146 2DR 0.9331
147 BML 0.9328
148 MAK 0.9327
149 RP7 0.9326
150 ABN 0.9326
151 938 0.9325
152 M2H 0.9324
153 2AF 0.9323
154 FPN 0.9323
155 PY7 0.9321
156 HGY 0.9318
157 OXL 0.9312
158 HTS 0.9311
159 2OP 0.9309
160 OXD 0.9308
161 JZ0 0.9307
162 ABA 0.9304
163 PYZ 0.9299
164 4JN 0.9294
165 BP9 0.9278
166 SAR 0.9277
167 3OH 0.9277
168 47J 0.9276
169 PRO 0.9275
170 LAC 0.9270
171 4CH 0.9265
172 OXM 0.9264
173 3FA 0.9259
174 6X8 0.9259
175 6MH 0.9256
176 BVG 0.9253
177 2HA 0.9252
178 PYG 0.9250
179 PUT 0.9250
180 4AX 0.9248
181 ICP 0.9248
182 PYD 0.9248
183 BAL 0.9245
184 AHR 0.9245
185 YAN 0.9240
186 XBZ 0.9239
187 MCT 0.9238
188 1MR 0.9230
189 4ZE 0.9227
190 GXV 0.9225
191 MBD 0.9225
192 MWM 0.9224
193 2AC 0.9223
194 2C9 0.9223
195 3ZS 0.9218
196 URF 0.9218
197 34A 0.9215
198 2CM 0.9214
199 ALA 0.9213
200 PYJ 0.9213
201 C2A 0.9213
202 TP5 0.9213
203 TH0 0.9210
204 FOA 0.9210
205 XYP 0.9210
206 3MC 0.9209
207 2MY 0.9208
208 NK 0.9207
209 WBU 0.9207
210 2MP 0.9207
211 XYD 0.9206
212 EGD 0.9205
213 1PT 0.9204
214 1MC 0.9200
215 FLM 0.9197
216 FFP 0.9195
217 PYR 0.9194
218 DAL 0.9194
219 ICC 0.9193
220 TDR 0.9193
221 BR9 0.9192
222 275 0.9192
223 5UC 0.9191
224 VAL 0.9190
225 NAK 0.9190
226 4CL 0.9189
227 3MH 0.9187
228 A1U 0.9187
229 DUB 0.9186
230 4JJ 0.9185
231 PYC 0.9185
232 JZ2 0.9183
233 HT4 0.9182
234 5MH 0.9182
235 IOL 0.9181
236 278 0.9181
237 4HO 0.9180
238 BUA 0.9173
239 GMN 0.9172
240 3CE 0.9171
241 27Y 0.9171
242 5JC 0.9170
243 IUR 0.9167
244 TM7 0.9165
245 MWJ 0.9164
246 03W 0.9163
247 TM4 0.9159
248 4JO 0.9158
249 0R0 0.9158
250 YHO 0.9157
251 9X7 0.9156
252 43M 0.9151
253 2YU 0.9149
254 MZG 0.9149
255 HAE 0.9147
256 6SP 0.9142
257 KIV 0.9140
258 BMD 0.9139
259 273 0.9139
260 D2P 0.9138
261 FPY 0.9135
262 NBE 0.9134
263 PYM 0.9133
264 B20 0.9128
265 JZ3 0.9126
266 A3B 0.9114
267 B24 0.9114
268 C21 0.9106
269 MLT 0.9106
270 BZF 0.9105
271 NIS 0.9102
272 4SD 0.9102
273 BNZ 0.9102
274 265 0.9102
275 HUI 0.9102
276 GLV 0.9101
277 DBB 0.9100
278 61G 0.9099
279 2RA 0.9099
280 GVH 0.9097
281 3BB 0.9096
282 TLD 0.9096
283 HSE 0.9094
284 DEN 0.9094
285 SMB 0.9094
286 SGL 0.9093
287 9CL 0.9091
288 5ZE 0.9089
289 TZC 0.9088
290 BZI 0.9088
291 6UA 0.9085
292 2EZ 0.9084
293 F3V 0.9083
294 CP 0.9083
295 JBN 0.9083
296 IVA 0.9082
297 QOS 0.9080
298 Y8I 0.9079
299 2ZX 0.9078
300 2PC 0.9078
301 0PY 0.9077
302 0CT 0.9073
303 3AY 0.9073
304 GOA 0.9071
305 IND 0.9068
306 LDU 0.9068
307 MPI 0.9067
308 AX2 0.9067
309 LER 0.9066
310 LXC 0.9066
311 JAB 0.9063
312 AKR 0.9062
313 1DU 0.9062
314 94N 0.9062
315 4JP 0.9061
316 TFB 0.9059
317 39J 0.9058
318 0R1 0.9057
319 PHZ 0.9052
320 FAH 0.9052
321 GLY 0.9050
322 PRI 0.9050
323 BUO 0.9049
324 LZ1 0.9047
325 13X 0.9046
326 TSZ 0.9044
327 C2N 0.9039
328 P1R 0.9039
329 PCA 0.9038
330 DE2 0.9033
331 OXQ 0.9031
332 2A1 0.9029
333 GBD 0.9027
334 THR 0.9023
335 HY3 0.9022
336 5AC 0.9021
337 XYS 0.9020
338 WDL 0.9020
339 1AC 0.9019
340 PPI 0.9016
341 1XX 0.9014
342 1SP 0.9014
343 JZ1 0.9013
344 3HL 0.9012
345 NMU 0.9010
346 GAG 0.9007
347 NHY 0.9006
348 ERH 0.9005
349 MGX 0.9005
350 IDM 0.9001
351 SMV 0.8997
352 SSN 0.8996
353 BR8 0.8995
354 IHG 0.8995
355 286 0.8994
356 DCY 0.8992
357 NIE 0.8991
358 6PC 0.8990
359 PAE 0.8988
360 CHT 0.8986
361 ALO 0.8981
362 BEN 0.8981
363 5Y9 0.8973
364 SLP 0.8972
365 BEZ 0.8968
366 O7U 0.8966
367 60P 0.8962
368 MTG 0.8962
369 TF4 0.8961
370 HBA 0.8960
371 MAE 0.8959
372 3HR 0.8959
373 ALQ 0.8957
374 AGU 0.8956
375 5AN 0.8954
376 DTU 0.8949
377 YCP 0.8948
378 F50 0.8946
379 BAM 0.8943
380 HVB 0.8942
381 BRP 0.8941
382 BUB 0.8940
383 TCZ 0.8938
384 MRY 0.8937
385 DAB 0.8936
386 R8S 0.8936
387 1DW 0.8934
388 CRN 0.8932
389 BU4 0.8929
390 TCV 0.8928
391 PRS 0.8925
392 14J 0.8921
393 NCA 0.8919
394 PHB 0.8917
395 3XX 0.8917
396 ITN 0.8915
397 ATO 0.8904
398 NIO 0.8899
399 AOA 0.8894
400 XAP 0.8888
401 IFM 0.8888
402 DFB 0.8888
403 1BP 0.8887
404 NBZ 0.8886
405 0TR 0.8886
406 9YL 0.8884
407 NTN 0.8880
408 TB6 0.8880
409 7CZ 0.8879
410 AZF 0.8878
411 OXZ 0.8877
412 AGK 0.8876
413 JZ9 0.8875
414 4VP 0.8875
415 OAA 0.8872
416 DPR 0.8871
417 HSM 0.8870
418 23A 0.8869
419 BZX 0.8868
420 P3K 0.8867
421 4XR 0.8865
422 ITU 0.8863
423 GIF 0.8861
424 PZA 0.8860
425 RIP 0.8859
426 192 0.8857
427 3Z7 0.8850
428 6AI 0.8846
429 4JL 0.8846
430 VGL 0.8844
431 TAR 0.8844
432 PXO 0.8843
433 5H1 0.8842
434 R3W 0.8842
435 FYU 0.8841
436 5MB 0.8839
437 NVA 0.8837
438 4ZC 0.8835
439 IT2 0.8834
440 14O 0.8832
441 0MK 0.8832
442 EDG 0.8830
443 F60 0.8826
444 YTB 0.8826
445 5MI 0.8825
446 ODV 0.8824
447 R2B 0.8821
448 MSF 0.8821
449 2K4 0.8816
450 1AB 0.8813
451 69O 0.8813
452 HCS 0.8811
453 7WG 0.8810
454 CRD 0.8810
455 UY7 0.8809
456 HDA 0.8808
457 FUL 0.8807
458 S0H 0.8805
459 ES9 0.8804
460 9EW 0.8802
461 RIB 0.8802
462 F81 0.8801
463 LMR 0.8798
464 CP2 0.8794
465 BAE 0.8793
466 H76 0.8791
467 HMH 0.8788
468 HYP 0.8788
469 C2B 0.8788
470 SVN 0.8787
471 CSS 0.8786
472 F05 0.8781
473 UNU 0.8781
474 3NT 0.8780
475 HLR 0.8777
476 SAL 0.8776
477 ADE 0.8775
478 FUC 0.8772
479 5HN 0.8771
480 CIZ 0.8771
481 11S 0.8768
482 6MP 0.8768
483 FAN 0.8767
484 HV2 0.8767
485 HPA 0.8766
486 JAE 0.8764
487 FLA 0.8763
488 UGC 0.8761
489 7HP 0.8761
490 9A4 0.8761
491 NXA 0.8761
492 7VD 0.8760
493 GAB 0.8759
494 3HB 0.8759
495 SIN 0.8753
496 8GC 0.8753
497 H4N 0.8751
498 FBA 0.8750
499 OVV 0.8750
500 ASP 0.8750
501 FK1 0.8749
502 9DA 0.8747
503 AC0 0.8746
504 3AB 0.8742
505 PBC 0.8742
506 2A7 0.8741
507 9HX 0.8741
508 BXO 0.8740
509 T2C 0.8738
510 51F 0.8737
511 4SV 0.8736
512 0RW 0.8736
513 RSO 0.8735
514 3U4 0.8734
515 XRG 0.8732
516 ZZT 0.8732
517 NMJ 0.8732
518 SS2 0.8731
519 PE9 0.8730
520 FQI 0.8729
521 SS1 0.8728
522 9TY 0.8727
523 6HQ 0.8719
524 M58 0.8718
525 BE2 0.8717
526 FJO 0.8715
527 BTE 0.8713
528 S76 0.8713
529 DFU 0.8713
530 270 0.8712
531 8NY 0.8712
532 10L 0.8709
533 BTL 0.8709
534 4CS 0.8705
535 QSC 0.8700
536 KOJ 0.8699
537 53C 0.8697
538 PM6 0.8697
539 AKB 0.8696
540 WCE 0.8693
541 24B 0.8692
542 3SK 0.8690
543 ARA 0.8689
544 4JM 0.8687
545 AX7 0.8686
546 ES6 0.8685
547 40E 0.8684
548 VNJ 0.8682
549 ABU 0.8681
550 R1X 0.8678
551 HBS 0.8678
552 1WD 0.8677
553 7WA 0.8672
554 URP 0.8671
555 6M9 0.8671
556 DYA 0.8666
557 TEO 0.8665
558 BP1 0.8662
559 R8A 0.8659
560 6M4 0.8659
561 8H8 0.8658
562 IMR 0.8655
563 HMU 0.8654
564 HZP 0.8653
565 XPO 0.8652
566 H8N 0.8650
567 BRT 0.8649
568 ES4 0.8648
569 2MI 0.8646
570 FUM 0.8644
571 150 0.8642
572 JZ5 0.8640
573 ASN 0.8638
574 ZZ3 0.8637
575 ETM 0.8636
576 2XX 0.8633
577 JKE 0.8633
578 ILE 0.8633
579 FUF 0.8626
580 F4Z 0.8619
581 2HE 0.8616
582 BNS 0.8616
583 BXA 0.8615
584 SWD 0.8614
585 7WV 0.8610
586 2CQ 0.8610
587 IP0 0.8607
588 TC7 0.8606
589 HX3 0.8602
590 ABV 0.8601
591 P92 0.8594
592 XUL 0.8594
593 QUZ 0.8589
594 T6C 0.8586
595 45C 0.8583
596 NSP 0.8571
597 PZO 0.8568
598 IPU 0.8565
599 717 0.8561
600 NMG 0.8557
601 BUQ 0.8550
602 1DQ 0.8546
603 NPY 0.8542
604 FCA 0.8522
605 PAF 0.8515
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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