Receptor
PDB id Resolution Class Description Source Keywords
1aeg 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 (4- A MINOPYRIDINE) 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
4AP A:296;
 Valid;
 none;
 submit data
95.122 C5 H7 N2 c1c[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: 4AP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4AP 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 4AP; Similar ligands found: 578
No: Ligand Similarity coefficient
1 IPH 1.0000
2 7EX 1.0000
3 HAI 1.0000
4 CXL 1.0000
5 CYH 1.0000
6 2IM 1.0000
7 A2Q 1.0000
8 V1L 1.0000
9 LGA 1.0000
10 9PO 1.0000
11 3AP 1.0000
12 WOT 1.0000
13 HRZ 1.0000
14 HVK 1.0000
15 2AP 1.0000
16 MBN 1.0000
17 GXE 0.9974
18 8CL 0.9941
19 HHN 0.9910
20 TTO 0.9877
21 L60 0.9870
22 93B 0.9860
23 1CB 0.9799
24 282 0.9797
25 3MT 0.9786
26 HGW 0.9785
27 MZ0 0.9780
28 PIH 0.9780
29 BAQ 0.9778
30 MZY 0.9766
31 5MP 0.9752
32 4MZ 0.9752
33 2MZ 0.9744
34 3TR 0.9742
35 HSL 0.9728
36 AMT 0.9725
37 MR3 0.9713
38 HPY 0.9711
39 ECE 0.9710
40 4JU 0.9706
41 FPI 0.9704
42 GBL 0.9700
43 HOW 0.9695
44 4XX 0.9688
45 DGY 0.9687
46 LG3 0.9683
47 1MZ 0.9681
48 ATQ 0.9680
49 2AI 0.9671
50 PCR 0.9670
51 DUC 0.9668
52 CYT 0.9658
53 RCO 0.9658
54 CEJ 0.9654
55 HQE 0.9651
56 LG4 0.9650
57 HYN 0.9645
58 5KX 0.9642
59 URA 0.9640
60 26D 0.9639
61 BYZ 0.9637
62 AMC 0.9634
63 3ZQ 0.9631
64 2MH 0.9628
65 CRS 0.9627
66 HBX 0.9623
67 25R 0.9623
68 8GF 0.9621
69 PLQ 0.9620
70 MB3 0.9620
71 284 0.9618
72 2KT 0.9616
73 PYF 0.9615
74 ABN 0.9614
75 XIX 0.9613
76 DMI 0.9612
77 JZ6 0.9612
78 24T 0.9611
79 PXY 0.9610
80 PYZ 0.9607
81 SYN 0.9606
82 NVI 0.9604
83 LG5 0.9604
84 FPN 0.9604
85 DA1 0.9602
86 KSW 0.9601
87 3CH 0.9599
88 MMZ 0.9598
89 93Q 0.9597
90 25T 0.9595
91 DTI 0.9591
92 NBE 0.9588
93 BVF 0.9583
94 ES3 0.9581
95 HIU 0.9574
96 B20 0.9571
97 CAQ 0.9569
98 1DH 0.9568
99 4HS 0.9565
100 BML 0.9564
101 CIG 0.9563
102 8LG 0.9562
103 92Z 0.9557
104 E60 0.9555
105 BNZ 0.9552
106 3ZS 0.9551
107 938 0.9550
108 ICC 0.9549
109 PY7 0.9546
110 FP2 0.9545
111 APY 0.9545
112 PHZ 0.9544
113 DMG 0.9544
114 P1R 0.9541
115 285 0.9536
116 TMZ 0.9536
117 0PY 0.9536
118 4CH 0.9536
119 1AN 0.9535
120 DXX 0.9533
121 4JN 0.9529
122 BEW 0.9525
123 TMT 0.9521
124 4AX 0.9520
125 280 0.9520
126 2CH 0.9519
127 L89 0.9515
128 JZ0 0.9511
129 PYJ 0.9503
130 40O 0.9501
131 HGQ 0.9492
132 6SP 0.9487
133 IOL 0.9484
134 M3T 0.9483
135 4H2 0.9479
136 HEW 0.9476
137 HTS 0.9474
138 1MR 0.9471
139 B3R 0.9470
140 76X 0.9470
141 H3M 0.9467
142 J1Z 0.9459
143 6X8 0.9452
144 2AF 0.9452
145 VAL 0.9449
146 BVG 0.9447
147 HHQ 0.9444
148 BVC 0.9443
149 CYS 0.9437
150 OXL 0.9432
151 OXM 0.9432
152 MLA 0.9429
153 GOL 0.9428
154 SER 0.9420
155 DSN 0.9417
156 9CL 0.9417
157 MLI 0.9408
158 HVQ 0.9407
159 IDH 0.9400
160 OXE 0.9400
161 URF 0.9400
162 3PY 0.9396
163 3OH 0.9380
164 278 0.9373
165 KG7 0.9370
166 B24 0.9370
167 GVH 0.9363
168 PYR 0.9363
169 MCT 0.9357
170 BZF 0.9355
171 2EZ 0.9354
172 1PT 0.9352
173 RSF 0.9347
174 MAK 0.9345
175 3MC 0.9345
176 4JP 0.9342
177 4HO 0.9336
178 IND 0.9335
179 C5J 0.9334
180 OXD 0.9332
181 JZ3 0.9331
182 WBU 0.9328
183 TDR 0.9327
184 BZI 0.9326
185 1MC 0.9322
186 DEN 0.9315
187 FFP 0.9314
188 3FA 0.9312
189 MPI 0.9311
190 PYD 0.9309
191 ICP 0.9309
192 0R1 0.9308
193 275 0.9308
194 MBD 0.9307
195 RP7 0.9304
196 KIV 0.9304
197 PYG 0.9302
198 GMN 0.9302
199 FPY 0.9301
200 ALA 0.9297
201 0CT 0.9297
202 2AC 0.9291
203 A1U 0.9290
204 YAN 0.9290
205 LZ1 0.9287
206 MWM 0.9286
207 MLM 0.9285
208 NK 0.9284
209 4ZE 0.9283
210 4DX 0.9282
211 LAC 0.9277
212 TM4 0.9275
213 4CL 0.9267
214 XYD 0.9266
215 FLM 0.9266
216 2C9 0.9266
217 HGY 0.9265
218 DAL 0.9255
219 2MY 0.9254
220 1AC 0.9254
221 BR9 0.9252
222 MZG 0.9250
223 3CE 0.9248
224 2MP 0.9248
225 FOA 0.9246
226 34A 0.9242
227 6MH 0.9241
228 4JJ 0.9237
229 XBZ 0.9237
230 27Y 0.9233
231 R8A 0.9229
232 PYC 0.9229
233 JZ2 0.9227
234 TH0 0.9225
235 2OP 0.9215
236 0R0 0.9214
237 OXQ 0.9211
238 5UC 0.9209
239 ABA 0.9209
240 P2D 0.9207
241 XYP 0.9206
242 03W 0.9204
243 IDM 0.9201
244 PYM 0.9197
245 DCY 0.9192
246 TM7 0.9192
247 SMB 0.9190
248 HT4 0.9190
249 MWJ 0.9190
250 2CM 0.9188
251 5MH 0.9187
252 YHO 0.9187
253 4JO 0.9185
254 BUO 0.9182
255 DUB 0.9177
256 3MH 0.9176
257 PRO 0.9175
258 1DU 0.9175
259 AX2 0.9173
260 5JC 0.9170
261 2YU 0.9164
262 3AY 0.9163
263 43M 0.9162
264 HUI 0.9159
265 BAL 0.9159
266 MEU 0.9158
267 PRI 0.9157
268 2RA 0.9153
269 JBN 0.9152
270 BEZ 0.9152
271 LXC 0.9151
272 5Y9 0.9151
273 BEN 0.9150
274 5ZE 0.9149
275 OHG 0.9149
276 5AN 0.9147
277 WDL 0.9146
278 IUR 0.9142
279 HBA 0.9142
280 6UA 0.9137
281 NEQ 0.9135
282 GBD 0.9133
283 DBB 0.9132
284 A3B 0.9132
285 NCA 0.9130
286 BP9 0.9127
287 2ZX 0.9125
288 9X7 0.9124
289 HY3 0.9124
290 GAG 0.9119
291 1XX 0.9118
292 THR 0.9115
293 MMU 0.9113
294 286 0.9113
295 2PC 0.9113
296 SMV 0.9111
297 XYS 0.9110
298 5AC 0.9109
299 JZ1 0.9108
300 NIO 0.9104
301 13X 0.9103
302 QOS 0.9100
303 MLT 0.9100
304 NAK 0.9099
305 TZC 0.9096
306 6PC 0.9096
307 23W 0.9091
308 Y8I 0.9090
309 NBZ 0.9089
310 39J 0.9087
311 AHR 0.9087
312 265 0.9079
313 PZA 0.9076
314 ALO 0.9074
315 YCP 0.9074
316 ERH 0.9073
317 VGL 0.9073
318 BR8 0.9073
319 NIS 0.9072
320 0TR 0.9068
321 BAM 0.9068
322 LDU 0.9066
323 TP5 0.9061
324 BUA 0.9059
325 94N 0.9056
326 SAR 0.9054
327 TFB 0.9052
328 192 0.9049
329 NCM 0.9043
330 JAB 0.9041
331 JZ9 0.9040
332 7CZ 0.9037
333 TLD 0.9037
334 3GR 0.9036
335 PHB 0.9036
336 C2A 0.9030
337 273 0.9017
338 NTN 0.9016
339 GOA 0.9016
340 RIB 0.9007
341 C21 0.9006
342 RIP 0.8998
343 4VP 0.8997
344 UNU 0.8996
345 R2B 0.8995
346 SS2 0.8992
347 4JL 0.8989
348 PPI 0.8989
349 M58 0.8988
350 ADE 0.8988
351 AKR 0.8988
352 2HA 0.8987
353 BAE 0.8983
354 GLV 0.8982
355 FAH 0.8982
356 60P 0.8982
357 6MP 0.8976
358 JZ5 0.8973
359 9DA 0.8972
360 C2N 0.8972
361 2DR 0.8969
362 IT2 0.8967
363 7HP 0.8967
364 R1X 0.8962
365 C2B 0.8962
366 H8N 0.8961
367 HAE 0.8960
368 JIF 0.8956
369 QSC 0.8954
370 1AB 0.8949
371 HSE 0.8948
372 LER 0.8942
373 23A 0.8942
374 HPA 0.8936
375 AC0 0.8936
376 GLY 0.8936
377 0MK 0.8934
378 FBA 0.8933
379 TCZ 0.8932
380 ES4 0.8931
381 DAB 0.8929
382 9HX 0.8928
383 10L 0.8927
384 BP1 0.8926
385 T2C 0.8923
386 AAE 0.8920
387 47J 0.8919
388 7WA 0.8917
389 EDG 0.8917
390 NHY 0.8914
391 4XR 0.8913
392 PBC 0.8908
393 64K 0.8908
394 PM6 0.8903
395 ALQ 0.8903
396 FUC 0.8902
397 NIE 0.8898
398 4JM 0.8897
399 MAE 0.8893
400 DFB 0.8890
401 MGX 0.8889
402 NMU 0.8888
403 PAE 0.8888
404 9TY 0.8884
405 F50 0.8880
406 FLA 0.8880
407 IMR 0.8879
408 ARA 0.8876
409 SWD 0.8874
410 7MH 0.8872
411 ARB 0.8869
412 HBS 0.8868
413 IFM 0.8868
414 DPR 0.8868
415 BTE 0.8867
416 270 0.8866
417 HVB 0.8866
418 XAP 0.8865
419 AGU 0.8865
420 F3V 0.8865
421 MZW 0.8865
422 2A1 0.8863
423 CP 0.8863
424 AKB 0.8862
425 RSO 0.8860
426 IQ0 0.8859
427 O7U 0.8859
428 FUL 0.8851
429 AZF 0.8849
430 PCA 0.8849
431 BU4 0.8844
432 PZO 0.8844
433 MRY 0.8842
434 FW5 0.8842
435 CHT 0.8841
436 LMR 0.8839
437 KYD 0.8839
438 AOA 0.8837
439 OAA 0.8837
440 PRS 0.8835
441 SS1 0.8834
442 YTB 0.8834
443 61G 0.8831
444 R3W 0.8830
445 P92 0.8826
446 9YL 0.8825
447 BUQ 0.8823
448 M2H 0.8821
449 ASP 0.8820
450 IMD 0.8820
451 HCS 0.8820
452 F81 0.8815
453 HSM 0.8814
454 HUH 0.8812
455 2HE 0.8810
456 NVA 0.8809
457 BNS 0.8806
458 DFU 0.8806
459 FAN 0.8805
460 OXZ 0.8801
461 JBE 0.8794
462 14J 0.8791
463 TF4 0.8790
464 BMD 0.8787
465 AX7 0.8786
466 BZX 0.8785
467 SAL 0.8785
468 DTL 0.8784
469 T6C 0.8782
470 CRN 0.8781
471 RUU 0.8781
472 2MI 0.8778
473 ITU 0.8778
474 1WD 0.8776
475 TRI 0.8773
476 ITN 0.8772
477 IP0 0.8769
478 6AI 0.8767
479 3Z7 0.8766
480 9EW 0.8763
481 SEJ 0.8762
482 NMJ 0.8759
483 3U4 0.8756
484 6HQ 0.8756
485 69O 0.8755
486 3HR 0.8754
487 F05 0.8753
488 BE2 0.8752
489 51F 0.8749
490 DTU 0.8744
491 3XX 0.8743
492 FYU 0.8738
493 CEE 0.8729
494 8NY 0.8728
495 ATO 0.8728
496 40E 0.8728
497 4SV 0.8727
498 VNJ 0.8724
499 SIN 0.8724
500 ABE 0.8723
501 PEL 0.8721
502 24B 0.8720
503 PBE 0.8719
504 SSN 0.8714
505 QUZ 0.8712
506 HLR 0.8712
507 ZZT 0.8711
508 TSZ 0.8707
509 CIZ 0.8707
510 FUF 0.8706
511 3HL 0.8705
512 SVN 0.8705
513 KOJ 0.8704
514 ES6 0.8701
515 AGK 0.8700
516 3SK 0.8698
517 FK1 0.8697
518 H4N 0.8695
519 271 0.8695
520 2A7 0.8694
521 0RW 0.8693
522 ES9 0.8691
523 TBP 0.8688
524 HMH 0.8687
525 PXO 0.8687
526 5H1 0.8677
527 H76 0.8675
528 TAY 0.8673
529 NPY 0.8671
530 2K4 0.8670
531 SLP 0.8670
532 5MB 0.8666
533 HY1 0.8665
534 S76 0.8663
535 5MI 0.8661
536 11S 0.8661
537 1DQ 0.8660
538 PEA 0.8657
539 JZ7 0.8654
540 14O 0.8649
541 HYP 0.8646
542 F60 0.8641
543 HV2 0.8640
544 260 0.8639
545 FUB 0.8638
546 ASN 0.8637
547 GIF 0.8636
548 MTG 0.8633
549 BXA 0.8630
550 ALF 0.8627
551 7WV 0.8624
552 ABV 0.8618
553 4ZC 0.8616
554 HX3 0.8615
555 JKE 0.8611
556 BRP 0.8611
557 SGL 0.8610
558 1WG 0.8609
559 3NT 0.8600
560 1DW 0.8597
561 8H8 0.8593
562 MRZ 0.8590
563 FCA 0.8590
564 FCN 0.8588
565 150 0.8587
566 PAV 0.8584
567 261 0.8578
568 Z6J 0.8575
569 CSS 0.8571
570 8GC 0.8570
571 45C 0.8569
572 JAE 0.8569
573 2CQ 0.8560
574 F4Z 0.8548
575 2CK 0.8542
576 FP1 0.8536
577 HLT 0.8530
578 35C 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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