Receptor
PDB id Resolution Class Description Source Keywords
1AEO 2.1 Å EC: 1.11.1.5 SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT TH SITE OF CYTOCHROME C PEROXIDASE (2-AMINOPYRIDINE) SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE PEROXIDASE TRANSIT PEPTIDE
Ref.: ARTIFICIAL PROTEIN CAVITIES AS SPECIFIC LIGAND-BIND TEMPLATES: CHARACTERIZATION OF AN ENGINEERED HETERO CATION-BINDING SITE THAT PRESERVES THE EVOLVED SPEC 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
2AP A:296;
 Valid;
 none;
 submit data
95.122 C5 H7 N2 c1cc[...
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: 2AP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 2AP 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 2AP; Similar ligands found: 581
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 V1L 1.0000
7 A2Q 1.0000
8 HVK 1.0000
9 HRZ 1.0000
10 9PO 1.0000
11 4AP 1.0000
12 MBN 1.0000
13 3AP 1.0000
14 WOT 1.0000
15 LGA 1.0000
16 2IM 0.9999
17 GXE 0.9964
18 8CL 0.9958
19 HHN 0.9910
20 TTO 0.9884
21 L60 0.9880
22 93B 0.9850
23 1CB 0.9824
24 BAQ 0.9803
25 HSL 0.9802
26 3MT 0.9797
27 HGW 0.9796
28 PIH 0.9786
29 282 0.9785
30 MZ0 0.9767
31 MZY 0.9759
32 3TR 0.9757
33 AMT 0.9755
34 4MZ 0.9751
35 2MZ 0.9734
36 5MP 0.9733
37 GBL 0.9730
38 MR3 0.9723
39 HYN 0.9723
40 HOW 0.9708
41 ECE 0.9705
42 FPI 0.9702
43 4JU 0.9701
44 HPY 0.9700
45 DGY 0.9699
46 DUC 0.9694
47 1MZ 0.9692
48 2AI 0.9690
49 ATQ 0.9690
50 URA 0.9681
51 4XX 0.9674
52 CYT 0.9672
53 RCO 0.9669
54 LG3 0.9665
55 CRS 0.9663
56 MB3 0.9662
57 CEJ 0.9660
58 PCR 0.9658
59 KSW 0.9652
60 3CH 0.9652
61 26D 0.9650
62 24T 0.9648
63 3ZQ 0.9644
64 5KX 0.9643
65 XIX 0.9642
66 BYZ 0.9641
67 LG4 0.9639
68 HBX 0.9637
69 93Q 0.9637
70 HQE 0.9637
71 284 0.9634
72 LG5 0.9633
73 PYF 0.9628
74 SYN 0.9627
75 2KT 0.9625
76 AMC 0.9624
77 DA1 0.9622
78 JZ6 0.9620
79 MMZ 0.9620
80 8LG 0.9619
81 8GF 0.9618
82 FPN 0.9613
83 2MH 0.9610
84 PXY 0.9609
85 PLQ 0.9608
86 25R 0.9607
87 3ZS 0.9607
88 25T 0.9602
89 BVF 0.9602
90 JZ0 0.9592
91 B20 0.9592
92 PYZ 0.9591
93 BNZ 0.9590
94 NVI 0.9588
95 FP2 0.9588
96 L89 0.9587
97 DMI 0.9584
98 DTI 0.9581
99 ES3 0.9581
100 ABN 0.9581
101 HIU 0.9580
102 NBE 0.9578
103 1AN 0.9578
104 0PY 0.9578
105 CIG 0.9569
106 92Z 0.9567
107 2CH 0.9558
108 APY 0.9556
109 938 0.9555
110 P1R 0.9555
111 PHZ 0.9553
112 ICC 0.9553
113 4JN 0.9552
114 PY7 0.9551
115 E60 0.9550
116 4CH 0.9549
117 CAQ 0.9548
118 BML 0.9546
119 285 0.9545
120 4HS 0.9545
121 TMZ 0.9543
122 BEW 0.9542
123 1DH 0.9542
124 4AX 0.9540
125 4H2 0.9539
126 76X 0.9538
127 280 0.9536
128 HTS 0.9535
129 DXX 0.9534
130 HGQ 0.9523
131 OXL 0.9522
132 40O 0.9514
133 1MR 0.9510
134 TMT 0.9508
135 6SP 0.9504
136 OXM 0.9501
137 DMG 0.9497
138 2AF 0.9496
139 IOL 0.9496
140 GOL 0.9491
141 M3T 0.9487
142 OXE 0.9482
143 HEW 0.9480
144 H3M 0.9474
145 B3R 0.9470
146 CYS 0.9467
147 6X8 0.9465
148 PYJ 0.9463
149 J1Z 0.9457
150 3PY 0.9456
151 BVC 0.9453
152 HHQ 0.9450
153 DSN 0.9448
154 OXD 0.9441
155 BVG 0.9440
156 SER 0.9427
157 IDH 0.9425
158 VAL 0.9425
159 9CL 0.9424
160 KG7 0.9423
161 PYR 0.9414
162 URF 0.9408
163 MLA 0.9402
164 3OH 0.9400
165 LAC 0.9390
166 HVQ 0.9386
167 MLI 0.9381
168 3MC 0.9378
169 B24 0.9370
170 278 0.9369
171 RSF 0.9364
172 GVH 0.9361
173 MAK 0.9355
174 MCT 0.9348
175 4JP 0.9348
176 BZF 0.9345
177 MPI 0.9333
178 RP7 0.9333
179 0R1 0.9330
180 IND 0.9329
181 TDR 0.9329
182 BZI 0.9329
183 WBU 0.9328
184 1MC 0.9326
185 MLM 0.9325
186 1PT 0.9325
187 ICP 0.9320
188 PYD 0.9320
189 275 0.9314
190 JZ3 0.9313
191 4HO 0.9313
192 0CT 0.9312
193 2EZ 0.9310
194 FPY 0.9309
195 LZ1 0.9308
196 A1U 0.9306
197 3FA 0.9302
198 DEN 0.9302
199 C5J 0.9301
200 NK 0.9296
201 HGY 0.9294
202 2AC 0.9291
203 FFP 0.9286
204 KIV 0.9284
205 4ZE 0.9282
206 MWM 0.9282
207 PYG 0.9281
208 MBD 0.9280
209 YAN 0.9280
210 4DX 0.9274
211 GMN 0.9273
212 2OP 0.9270
213 4CL 0.9265
214 FLM 0.9263
215 XYD 0.9258
216 1AC 0.9255
217 BR9 0.9253
218 TM4 0.9252
219 6MH 0.9251
220 2C9 0.9250
221 PYM 0.9248
222 FOA 0.9248
223 DAL 0.9248
224 2MY 0.9247
225 2MP 0.9245
226 27Y 0.9243
227 XBZ 0.9242
228 MZG 0.9238
229 34A 0.9238
230 3CE 0.9235
231 R8A 0.9230
232 4JJ 0.9227
233 JZ2 0.9227
234 1DU 0.9225
235 0R0 0.9222
236 ALA 0.9221
237 XYP 0.9220
238 PYC 0.9220
239 OXQ 0.9217
240 5UC 0.9213
241 IDM 0.9212
242 TH0 0.9212
243 TM7 0.9210
244 BUO 0.9203
245 DUB 0.9201
246 03W 0.9201
247 SMB 0.9196
248 4JO 0.9196
249 5MH 0.9195
250 PRO 0.9195
251 HT4 0.9191
252 PRI 0.9191
253 ABA 0.9190
254 YHO 0.9190
255 MWJ 0.9187
256 2CM 0.9181
257 2YU 0.9175
258 P2D 0.9174
259 DCY 0.9173
260 43M 0.9171
261 5JC 0.9171
262 BAL 0.9170
263 3MH 0.9169
264 5Y9 0.9168
265 BEZ 0.9167
266 3AY 0.9162
267 2RA 0.9160
268 AX2 0.9160
269 5ZE 0.9154
270 JBN 0.9154
271 LXC 0.9152
272 BEN 0.9151
273 HUI 0.9149
274 IUR 0.9143
275 THR 0.9143
276 A3B 0.9140
277 DBB 0.9140
278 NEQ 0.9140
279 WDL 0.9139
280 GAG 0.9132
281 NAK 0.9132
282 MMU 0.9131
283 286 0.9130
284 OHG 0.9129
285 6UA 0.9128
286 GBD 0.9126
287 MEU 0.9126
288 NCA 0.9126
289 HY3 0.9126
290 1XX 0.9123
291 5AN 0.9115
292 2PC 0.9114
293 JZ1 0.9107
294 2ZX 0.9106
295 NIS 0.9105
296 5AC 0.9104
297 NBZ 0.9104
298 NIO 0.9104
299 TZC 0.9102
300 265 0.9102
301 PZA 0.9099
302 9X7 0.9095
303 SMV 0.9093
304 XYS 0.9090
305 MLT 0.9089
306 6PC 0.9088
307 39J 0.9087
308 AHR 0.9086
309 13X 0.9085
310 QOS 0.9084
311 Y8I 0.9081
312 HBA 0.9081
313 JZ9 0.9080
314 TP5 0.9075
315 YCP 0.9072
316 BP9 0.9070
317 0TR 0.9068
318 BAM 0.9068
319 GOA 0.9067
320 23W 0.9067
321 94N 0.9065
322 NCM 0.9059
323 ERH 0.9057
324 VGL 0.9051
325 ALO 0.9049
326 BR8 0.9048
327 TFB 0.9048
328 TLD 0.9045
329 2HA 0.9044
330 7CZ 0.9043
331 2DR 0.9043
332 JAB 0.9037
333 RIB 0.9037
334 273 0.9036
335 3GR 0.9031
336 C2A 0.9029
337 GLV 0.9028
338 LDU 0.9026
339 NTN 0.9024
340 BUA 0.9022
341 SS2 0.9017
342 192 0.9009
343 C21 0.9005
344 UNU 0.9003
345 RIP 0.9003
346 M58 0.9002
347 IT2 0.8996
348 FAH 0.8993
349 AKR 0.8993
350 ADE 0.8987
351 JZ5 0.8986
352 PHB 0.8986
353 LER 0.8985
354 SAR 0.8982
355 60P 0.8978
356 9DA 0.8978
357 4JL 0.8975
358 6MP 0.8974
359 R2B 0.8972
360 7HP 0.8965
361 HAE 0.8965
362 C2N 0.8964
363 GXV 0.8964
364 4VP 0.8963
365 JIF 0.8962
366 BAE 0.8961
367 1AB 0.8960
368 T2C 0.8958
369 R1X 0.8951
370 ALQ 0.8951
371 QSC 0.8950
372 HPA 0.8949
373 ES4 0.8948
374 AC0 0.8948
375 7WA 0.8946
376 0MK 0.8946
377 C2B 0.8940
378 9HX 0.8936
379 10L 0.8934
380 BP1 0.8933
381 23A 0.8932
382 GLY 0.8932
383 FBA 0.8930
384 PM6 0.8928
385 NHY 0.8927
386 PBC 0.8925
387 NIE 0.8922
388 H8N 0.8920
389 AAE 0.8920
390 FUC 0.8916
391 HSE 0.8916
392 EDG 0.8916
393 DAB 0.8916
394 TCZ 0.8913
395 9TY 0.8908
396 IMR 0.8907
397 AKB 0.8905
398 MGX 0.8903
399 4XR 0.8902
400 47J 0.8901
401 F50 0.8900
402 MAE 0.8897
403 PPI 0.8894
404 HVB 0.8891
405 HBS 0.8889
406 PZO 0.8888
407 DPR 0.8888
408 NMU 0.8887
409 64K 0.8886
410 IMD 0.8886
411 BU4 0.8880
412 AGU 0.8880
413 ARA 0.8878
414 DFB 0.8878
415 HUH 0.8877
416 PCA 0.8871
417 2A1 0.8871
418 PAE 0.8870
419 F3V 0.8870
420 7MH 0.8867
421 ARB 0.8867
422 SS1 0.8866
423 O7U 0.8866
424 BTE 0.8865
425 MRY 0.8863
426 IFM 0.8862
427 61G 0.8862
428 CP 0.8862
429 4JM 0.8861
430 FUL 0.8860
431 AZF 0.8860
432 TRI 0.8857
433 P92 0.8856
434 MZW 0.8854
435 FLA 0.8852
436 M2H 0.8848
437 AOA 0.8848
438 270 0.8843
439 CHT 0.8842
440 2HE 0.8840
441 LMR 0.8831
442 TF4 0.8831
443 FW5 0.8826
444 RSO 0.8826
445 KYD 0.8825
446 YTB 0.8824
447 R3W 0.8816
448 F81 0.8815
449 IQ0 0.8815
450 SAL 0.8813
451 ASP 0.8810
452 DFU 0.8810
453 HCS 0.8810
454 FAN 0.8809
455 OXZ 0.8804
456 BMD 0.8804
457 2MI 0.8799
458 CRN 0.8798
459 BZX 0.8797
460 OAA 0.8793
461 51F 0.8792
462 AX7 0.8790
463 DTL 0.8789
464 RUU 0.8789
465 T6C 0.8787
466 BNS 0.8784
467 9YL 0.8782
468 JBE 0.8780
469 SEJ 0.8780
470 PRS 0.8777
471 3HR 0.8776
472 6AI 0.8774
473 F05 0.8770
474 HSM 0.8767
475 6HQ 0.8765
476 69O 0.8763
477 14J 0.8761
478 SSN 0.8755
479 3U4 0.8755
480 9EW 0.8753
481 IP0 0.8753
482 ITN 0.8751
483 8NY 0.8748
484 ABE 0.8743
485 4SV 0.8740
486 3XX 0.8740
487 1WD 0.8739
488 3Z7 0.8738
489 HLT 0.8738
490 3HL 0.8731
491 ITU 0.8730
492 DTU 0.8729
493 PPF 0.8727
494 QUZ 0.8724
495 BUQ 0.8724
496 PBE 0.8724
497 H4N 0.8723
498 FYU 0.8723
499 BE2 0.8722
500 SIN 0.8720
501 VNJ 0.8719
502 ES9 0.8718
503 FK1 0.8717
504 TSZ 0.8716
505 CEE 0.8716
506 40E 0.8716
507 AGK 0.8715
508 CIZ 0.8715
509 ATO 0.8713
510 SVN 0.8712
511 HLR 0.8711
512 ES6 0.8711
513 NMJ 0.8709
514 FUF 0.8708
515 ZZT 0.8701
516 PXO 0.8700
517 24B 0.8698
518 0RW 0.8697
519 5H1 0.8696
520 TBP 0.8691
521 271 0.8690
522 TAY 0.8688
523 2A7 0.8687
524 11S 0.8686
525 NPY 0.8682
526 JZ7 0.8682
527 2K4 0.8681
528 H76 0.8680
529 3SK 0.8680
530 14O 0.8680
531 5MB 0.8678
532 1DQ 0.8675
533 ETF 0.8675
534 KOJ 0.8674
535 5MI 0.8672
536 PEL 0.8667
537 F60 0.8665
538 HY1 0.8662
539 HMH 0.8661
540 ASN 0.8660
541 S76 0.8660
542 1DW 0.8654
543 PEA 0.8652
544 GIF 0.8644
545 260 0.8642
546 SGL 0.8642
547 HV2 0.8640
548 ALF 0.8640
549 FUB 0.8638
550 HYP 0.8636
551 JKE 0.8635
552 1WG 0.8627
553 MTG 0.8627
554 ABV 0.8626
555 BRP 0.8624
556 7WV 0.8619
557 HX3 0.8616
558 4ZC 0.8614
559 150 0.8610
560 PAV 0.8610
561 ZZ3 0.8602
562 3NT 0.8601
563 FCA 0.8600
564 45C 0.8600
565 MRZ 0.8600
566 BXA 0.8593
567 FCN 0.8593
568 Z6J 0.8586
569 JAE 0.8584
570 261 0.8576
571 8H8 0.8572
572 F4Z 0.8569
573 2CQ 0.8562
574 CSS 0.8560
575 NSP 0.8554
576 8GC 0.8551
577 2CK 0.8540
578 35C 0.8523
579 SWD 0.8516
580 FP1 0.8514
581 GAB 0.8509
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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