Receptor
PDB id Resolution Class Description Source Keywords
2AQD 1.35 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE (CCP) IN COMPLEX WITH 2,5- DIAMINOPYRIDINE SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE PEROXIDASE MODEL BINDING SITE
Ref.: PROBING MOLECULAR DOCKING IN A CHARGED MODEL BINDING SITE. J.MOL.BIOL. V. 357 1449 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DA1 A:500;
Valid;
none;
submit data
109.129 C5 H7 N3 c1cc(...
HEM A:400;
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: DA1; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 DA1 1 1
2 4JN 0.481481 0.692308
3 LG4 0.481481 0.863636
Similar Ligands (3D)
Ligand no: 1; Ligand: DA1; Similar ligands found: 779
No: Ligand Similarity coefficient
1 HQE 1.0000
2 2MH 1.0000
3 4JU 1.0000
4 PXY 1.0000
5 25R 1.0000
6 PCR 1.0000
7 FPN 1.0000
8 PLQ 1.0000
9 BML 0.9994
10 4HS 0.9959
11 4CH 0.9949
12 IOL 0.9833
13 CYH 0.9800
14 4XX 0.9768
15 HBA 0.9764
16 CXL 0.9743
17 FPI 0.9705
18 HAI 0.9697
19 IPH 0.9697
20 V1L 0.9695
21 282 0.9692
22 FPY 0.9681
23 25T 0.9677
24 MBN 0.9669
25 1MC 0.9659
26 AMC 0.9653
27 2IM 0.9651
28 GXE 0.9649
29 WOT 0.9645
30 PHB 0.9644
31 MCT 0.9634
32 1PT 0.9633
33 URF 0.9630
34 TH0 0.9630
35 3AP 0.9626
36 2AP 0.9622
37 4HO 0.9617
38 WBU 0.9615
39 TDR 0.9613
40 TMZ 0.9612
41 PYD 0.9611
42 ICP 0.9611
43 HRZ 0.9611
44 ECE 0.9609
45 1DH 0.9608
46 HVK 0.9607
47 9PO 0.9606
48 A2Q 0.9606
49 XBZ 0.9605
50 4AP 0.9602
51 A1U 0.9594
52 H8N 0.9591
53 HBX 0.9590
54 LGA 0.9583
55 XYP 0.9582
56 J1Z 0.9579
57 XYD 0.9571
58 275 0.9570
59 4VP 0.9569
60 2AC 0.9566
61 CEJ 0.9566
62 DEN 0.9565
63 4ZE 0.9563
64 34A 0.9560
65 BZF 0.9560
66 2MP 0.9555
67 PYF 0.9551
68 5UC 0.9551
69 8CL 0.9550
70 5MH 0.9550
71 IND 0.9546
72 ABN 0.9546
73 MWM 0.9540
74 QOS 0.9539
75 SYN 0.9538
76 JZ2 0.9538
77 0CT 0.9533
78 4CL 0.9532
79 BZI 0.9532
80 MZG 0.9532
81 HT4 0.9529
82 TM7 0.9527
83 0R1 0.9523
84 GVH 0.9522
85 4JJ 0.9521
86 LXC 0.9519
87 43M 0.9519
88 LZ1 0.9517
89 MWJ 0.9516
90 4JL 0.9516
91 4JP 0.9515
92 4JO 0.9510
93 MPI 0.9505
94 FBA 0.9500
95 HHN 0.9497
96 NBE 0.9494
97 BR9 0.9493
98 VAL 0.9492
99 7EX 0.9492
100 PY7 0.9491
101 5JC 0.9489
102 TTO 0.9489
103 HYN 0.9488
104 TMT 0.9487
105 CRS 0.9483
106 RSF 0.9476
107 27Y 0.9473
108 LDU 0.9470
109 DMG 0.9466
110 2YU 0.9465
111 C2B 0.9462
112 MAK 0.9460
113 HGW 0.9456
114 KIV 0.9452
115 NK 0.9450
116 MZ0 0.9450
117 PIH 0.9445
118 8H8 0.9437
119 XIX 0.9434
120 OHG 0.9434
121 IUR 0.9428
122 BP9 0.9427
123 MLA 0.9426
124 TLD 0.9426
125 2KT 0.9423
126 L60 0.9420
127 MZW 0.9418
128 Y8I 0.9417
129 93B 0.9410
130 4JM 0.9409
131 PRO 0.9408
132 IDM 0.9407
133 IDH 0.9402
134 1MR 0.9400
135 RCO 0.9397
136 1AN 0.9394
137 HIU 0.9394
138 8LG 0.9392
139 R2B 0.9391
140 CAQ 0.9389
141 L89 0.9388
142 93Q 0.9386
143 APY 0.9384
144 6AI 0.9382
145 92Z 0.9380
146 FYU 0.9378
147 938 0.9373
148 BZX 0.9371
149 2AF 0.9369
150 FOA 0.9366
151 NPO 0.9365
152 HPY 0.9365
153 XYS 0.9363
154 P2D 0.9363
155 270 0.9362
156 2K4 0.9360
157 CYS 0.9360
158 5H1 0.9358
159 NVI 0.9357
160 FP2 0.9356
161 14O 0.9356
162 DGY 0.9356
163 280 0.9353
164 ICC 0.9353
165 JZ0 0.9353
166 24T 0.9351
167 F60 0.9345
168 HMH 0.9340
169 5MI 0.9339
170 2CH 0.9338
171 AX7 0.9337
172 DSN 0.9336
173 PYJ 0.9335
174 URA 0.9334
175 3CH 0.9334
176 3ZQ 0.9333
177 5MB 0.9331
178 MLI 0.9330
179 0R0 0.9328
180 PYG 0.9327
181 ZZT 0.9325
182 4XR 0.9325
183 76X 0.9324
184 BEN 0.9323
185 LG3 0.9318
186 BEW 0.9317
187 BEZ 0.9316
188 284 0.9315
189 2MI 0.9315
190 3MC 0.9315
191 11S 0.9314
192 JZ3 0.9314
193 NBZ 0.9308
194 DUC 0.9308
195 CYT 0.9306
196 P92 0.9300
197 AHR 0.9298
198 JZ9 0.9296
199 BAM 0.9296
200 HTS 0.9294
201 NCA 0.9292
202 23W 0.9291
203 MAE 0.9289
204 ES9 0.9287
205 OAA 0.9282
206 NIO 0.9280
207 B24 0.9280
208 6X8 0.9274
209 OXE 0.9271
210 3PY 0.9270
211 TH7 0.9269
212 PYC 0.9266
213 MRY 0.9264
214 JAE 0.9263
215 BVF 0.9262
216 24B 0.9262
217 NSP 0.9262
218 9X7 0.9262
219 THR 0.9258
220 FFP 0.9257
221 H4N 0.9256
222 26D 0.9255
223 1DU 0.9254
224 3FA 0.9253
225 9CL 0.9253
226 E60 0.9251
227 QUZ 0.9250
228 GMN 0.9250
229 NTN 0.9249
230 LG5 0.9246
231 HGQ 0.9244
232 FK1 0.9244
233 PCA 0.9237
234 KG7 0.9235
235 YCP 0.9235
236 MBD 0.9234
237 6PC 0.9230
238 OXQ 0.9227
239 TP5 0.9226
240 8GF 0.9218
241 ABV 0.9218
242 TFB 0.9218
243 2PC 0.9217
244 NPY 0.9214
245 DTU 0.9212
246 FLM 0.9211
247 DXX 0.9209
248 2C9 0.9209
249 PZA 0.9208
250 0TR 0.9208
251 2MY 0.9208
252 265 0.9201
253 C5J 0.9200
254 40O 0.9198
255 HMU 0.9197
256 273 0.9196
257 RIP 0.9196
258 H3M 0.9194
259 8NY 0.9190
260 SER 0.9189
261 FUL 0.9188
262 BAQ 0.9184
263 VGL 0.9183
264 KSW 0.9182
265 XM0 0.9180
266 JBN 0.9178
267 1Y6 0.9178
268 RIB 0.9177
269 BVG 0.9174
270 R8A 0.9172
271 LMR 0.9170
272 JIF 0.9170
273 HSL 0.9168
274 ARB 0.9167
275 HBD 0.9167
276 MB3 0.9164
277 EDG 0.9162
278 3CE 0.9160
279 BE7 0.9160
280 0MK 0.9159
281 6MH 0.9157
282 1AB 0.9156
283 MMZ 0.9156
284 23A 0.9154
285 PAB 0.9153
286 YHO 0.9153
287 BVC 0.9152
288 RSO 0.9148
289 FUM 0.9146
290 SIN 0.9146
291 HEW 0.9146
292 UNU 0.9145
293 B3R 0.9144
294 KOJ 0.9143
295 HVQ 0.9142
296 4H2 0.9140
297 3MT 0.9140
298 GAG 0.9138
299 TZC 0.9135
300 7CZ 0.9135
301 PBZ 0.9134
302 P72 0.9131
303 GOL 0.9131
304 HY3 0.9130
305 1CB 0.9127
306 5AC 0.9127
307 ALO 0.9123
308 C21 0.9123
309 M3T 0.9123
310 TM4 0.9122
311 286 0.9121
312 2CM 0.9121
313 GBD 0.9121
314 826 0.9120
315 CIG 0.9118
316 DFU 0.9118
317 HX3 0.9116
318 60P 0.9115
319 4MZ 0.9114
320 Z82 0.9112
321 T6C 0.9112
322 FUC 0.9111
323 PZM 0.9109
324 285 0.9108
325 AMT 0.9105
326 ATQ 0.9104
327 3TR 0.9104
328 F81 0.9102
329 1MZ 0.9102
330 3MH 0.9101
331 4MA 0.9101
332 JZ1 0.9097
333 2MZ 0.9095
334 PBC 0.9093
335 F05 0.9090
336 ABA 0.9090
337 ABE 0.9089
338 7MH 0.9085
339 SAL 0.9083
340 URP 0.9081
341 278 0.9081
342 SS1 0.9080
343 5MP 0.9080
344 M1A 0.9079
345 JZ5 0.9079
346 JBE 0.9078
347 NEQ 0.9078
348 DTI 0.9077
349 1WG 0.9076
350 AC6 0.9075
351 HOW 0.9074
352 717 0.9073
353 QSC 0.9073
354 35C 0.9073
355 AC0 0.9072
356 2AI 0.9072
357 SMV 0.9071
358 2CK 0.9070
359 SW7 0.9068
360 YAN 0.9067
361 2HA 0.9065
362 4SV 0.9064
363 9DA 0.9061
364 HHQ 0.9060
365 3U4 0.9060
366 JFD 0.9060
367 FAN 0.9058
368 GBL 0.9057
369 HSE 0.9057
370 174 0.9054
371 DUB 0.9054
372 SVN 0.9052
373 9EW 0.9052
374 150 0.9049
375 MMU 0.9048
376 HPA 0.9047
377 BE2 0.9046
378 MZY 0.9046
379 MEU 0.9045
380 DMI 0.9043
381 HLR 0.9043
382 JZ6 0.9041
383 9TY 0.9040
384 1XX 0.9040
385 ES4 0.9039
386 5KX 0.9039
387 FLA 0.9039
388 MR3 0.9037
389 MLT 0.9033
390 BTE 0.9033
391 3DM 0.9032
392 14J 0.9031
393 6MP 0.9029
394 67N 0.9029
395 B53 0.9027
396 TLA 0.9026
397 ES6 0.9025
398 DFB 0.9024
399 BYZ 0.9023
400 ADE 0.9020
401 0RW 0.9019
402 HX2 0.9016
403 JAB 0.9015
404 SS2 0.9015
405 PM6 0.9014
406 F4Z 0.9009
407 TC7 0.9009
408 BP1 0.9006
409 1WD 0.9005
410 GLC 0.9005
411 7WA 0.9003
412 FQI 0.9003
413 M58 0.9003
414 10L 0.9003
415 3SK 0.9001
416 T2C 0.8998
417 G6D 0.8998
418 ES3 0.8996
419 SWD 0.8990
420 PYZ 0.8987
421 5VM 0.8987
422 IMR 0.8986
423 2CQ 0.8984
424 7WG 0.8982
425 36R 0.8981
426 FCA 0.8980
427 4DX 0.8980
428 UY7 0.8977
429 LER 0.8971
430 AAE 0.8970
431 64K 0.8970
432 TBP 0.8968
433 P3K 0.8968
434 5NU 0.8965
435 R8S 0.8964
436 PYR 0.8962
437 CLW 0.8961
438 45C 0.8960
439 4AX 0.8960
440 5CU 0.8959
441 3XX 0.8957
442 1AC 0.8956
443 AZF 0.8955
444 6M9 0.8954
445 JKE 0.8951
446 ET2 0.8950
447 BHA 0.8949
448 3OH 0.8949
449 5WV 0.8948
450 IFM 0.8947
451 ES7 0.8943
452 9HX 0.8941
453 7HP 0.8940
454 VNJ 0.8935
455 HSM 0.8934
456 DOB 0.8932
457 BNS 0.8931
458 KKN 0.8930
459 PAE 0.8929
460 FA0 0.8928
461 DCY 0.8928
462 C2A 0.8926
463 BAL 0.8926
464 IT2 0.8924
465 R1X 0.8924
466 4M0 0.8923
467 XRG 0.8922
468 RP7 0.8922
469 OXL 0.8921
470 192 0.8920
471 2EZ 0.8920
472 HH5 0.8920
473 7WV 0.8919
474 PEA 0.8919
475 NOJ 0.8918
476 69O 0.8915
477 VGD 0.8915
478 HDA 0.8913
479 ISN 0.8913
480 9YL 0.8911
481 7W4 0.8909
482 2RA 0.8909
483 3ZS 0.8907
484 OXZ 0.8904
485 HYP 0.8903
486 OXM 0.8903
487 YTB 0.8903
488 03W 0.8901
489 94N 0.8901
490 B20 0.8900
491 UGC 0.8899
492 JB5 0.8899
493 2A9 0.8898
494 RUU 0.8897
495 DPR 0.8897
496 5OB 0.8895
497 PRI 0.8895
498 KYD 0.8895
499 SRT 0.8894
500 DBB 0.8894
501 A3B 0.8894
502 0PY 0.8891
503 AKB 0.8890
504 03V 0.8888
505 1DW 0.8888
506 FUF 0.8887
507 BZ3 0.8886
508 HUI 0.8886
509 BNZ 0.8885
510 6M4 0.8885
511 2AQ 0.8883
512 AGK 0.8880
513 OK7 0.8880
514 IP0 0.8877
515 4FS 0.8876
516 4FA 0.8876
517 2DR 0.8874
518 PHZ 0.8874
519 PRS 0.8874
520 H42 0.8871
521 XQ0 0.8870
522 COU 0.8865
523 DX4 0.8864
524 LAC 0.8864
525 ES5 0.8863
526 RM4 0.8860
527 ARA 0.8859
528 ABU 0.8858
529 CFP 0.8857
530 AZA 0.8857
531 DYA 0.8857
532 CXF 0.8855
533 P1R 0.8855
534 GUN 0.8853
535 RNS 0.8853
536 CRN 0.8850
537 9DG 0.8850
538 3V4 0.8850
539 1P8 0.8850
540 6GU 0.8845
541 YRL 0.8843
542 A2F 0.8841
543 XAN 0.8839
544 HIO 0.8839
545 1DQ 0.8838
546 XBT 0.8838
547 FCB 0.8836
548 SAR 0.8834
549 K2T 0.8834
550 1XM 0.8833
551 290 0.8833
552 6AP 0.8832
553 6F0 0.8832
554 GLL 0.8830
555 Q88 0.8830
556 ES2 0.8830
557 IPB 0.8828
558 YH7 0.8827
559 BAE 0.8827
560 BUA 0.8826
561 M2H 0.8826
562 ILE 0.8826
563 8GC 0.8825
564 PEL 0.8823
565 G4D 0.8822
566 DTL 0.8822
567 IFL 0.8822
568 ASN 0.8822
569 FBB 0.8822
570 ITN 0.8820
571 NOY 0.8820
572 DGJ 0.8816
573 KPL 0.8816
574 ADZ 0.8816
575 47J 0.8812
576 261 0.8812
577 E5X 0.8807
578 IGA 0.8806
579 OCH 0.8805
580 SEJ 0.8805
581 JBK 0.8803
582 NMJ 0.8800
583 ES0 0.8799
584 RBJ 0.8799
585 141 0.8798
586 0CU 0.8798
587 BUO 0.8796
588 G2F 0.8796
589 MNM 0.8794
590 2ZV 0.8791
591 P9P 0.8791
592 7B4 0.8790
593 BSX 0.8789
594 4CS 0.8788
595 ITU 0.8787
596 WDL 0.8787
597 OXD 0.8785
598 FP1 0.8784
599 CWM 0.8784
600 CEE 0.8783
601 6UA 0.8782
602 DBH 0.8780
603 5Y9 0.8779
604 GAL 0.8778
605 RHU 0.8778
606 DMD 0.8777
607 3ID 0.8776
608 ASP 0.8776
609 BCP 0.8774
610 ZBT 0.8772
611 4NC 0.8772
612 PYM 0.8772
613 3HA 0.8771
614 GIF 0.8770
615 3F0 0.8768
616 L3Q 0.8766
617 CP 0.8766
618 DHB 0.8766
619 C2N 0.8766
620 3HB 0.8765
621 AX2 0.8764
622 HH8 0.8764
623 HCS 0.8762
624 HGY 0.8762
625 6SP 0.8762
626 GRE 0.8760
627 AZG 0.8759
628 MR1 0.8759
629 QWN 0.8757
630 FUB 0.8756
631 QXW 0.8756
632 7N0 0.8754
633 IQ0 0.8752
634 XXR 0.8752
635 4XH 0.8752
636 1M2 0.8751
637 3AB 0.8751
638 Z6J 0.8751
639 82I 0.8749
640 3M0 0.8741
641 F5B 0.8741
642 IHG 0.8740
643 1SQ 0.8740
644 SAN 0.8739
645 O72 0.8738
646 GLU 0.8738
647 PBE 0.8736
648 3AY 0.8735
649 5Q0 0.8734
650 1LQ 0.8732
651 MFB 0.8731
652 AEF 0.8730
653 CHT 0.8728
654 JZ7 0.8727
655 2D0 0.8725
656 GAB 0.8724
657 51F 0.8723
658 NMG 0.8722
659 5AN 0.8721
660 F9Y 0.8721
661 40E 0.8720
662 ASO 0.8720
663 6M1 0.8720
664 ISZ 0.8718
665 NXA 0.8717
666 PAF 0.8717
667 BOA 0.8716
668 FW5 0.8714
669 5SG 0.8713
670 HQY 0.8713
671 M6W 0.8710
672 2ZX 0.8710
673 NVA 0.8710
674 XX2 0.8708
675 DHR 0.8706
676 3Z7 0.8706
677 GOO 0.8706
678 MYJ 0.8705
679 1NP 0.8705
680 JPZ 0.8703
681 1LM 0.8702
682 IF7 0.8701
683 13X 0.8700
684 4YS 0.8700
685 5IQ 0.8700
686 LCN 0.8699
687 ES1 0.8698
688 260 0.8696
689 4ZC 0.8694
690 PGA 0.8690
691 PAV 0.8690
692 24W 0.8688
693 1DV 0.8686
694 PNZ 0.8686
695 MRZ 0.8685
696 7HQ 0.8684
697 3NT 0.8684
698 S0H 0.8683
699 53C 0.8681
700 XIY 0.8680
701 BR8 0.8680
702 JBH 0.8679
703 3HM 0.8675
704 4P5 0.8674
705 9TW 0.8673
706 4NM 0.8672
707 5HN 0.8672
708 FHB 0.8672
709 IHB 0.8672
710 JLZ 0.8671
711 CHB 0.8670
712 PTO 0.8670
713 GLA 0.8669
714 WCE 0.8669
715 I3A 0.8669
716 N5J 0.8668
717 JA8 0.8665
718 SGL 0.8664
719 SN4 0.8663
720 QSB 0.8663
721 BHO 0.8661
722 HV2 0.8660
723 4A3 0.8658
724 HY1 0.8651
725 2HO 0.8650
726 93K 0.8646
727 259 0.8646
728 EQT 0.8642
729 5ZE 0.8641
730 3DO 0.8639
731 INO 0.8639
732 ANN 0.8639
733 OVV 0.8638
734 HHA 0.8633
735 TEO 0.8632
736 3BZ 0.8631
737 271 0.8630
738 COI 0.8627
739 NNO 0.8627
740 TAR 0.8625
741 H76 0.8625
742 3HR 0.8624
743 B57 0.8623
744 FCR 0.8619
745 1P7 0.8617
746 MAN 0.8617
747 XUL 0.8615
748 IVA 0.8613
749 RB5 0.8610
750 6HQ 0.8610
751 THE 0.8608
752 BRT 0.8608
753 TSU 0.8608
754 3HL 0.8606
755 PKU 0.8600
756 TB6 0.8600
757 2LP 0.8600
758 LZM 0.8598
759 RAM 0.8590
760 TNE 0.8586
761 5B1 0.8584
762 4JT 0.8580
763 TZE 0.8571
764 2BG 0.8569
765 PZI 0.8562
766 ALA 0.8560
767 LRH 0.8560
768 KJH 0.8558
769 DAL 0.8550
770 O7U 0.8540
771 TCZ 0.8537
772 FBV 0.8535
773 3GR 0.8526
774 BTY 0.8525
775 12Q 0.8525
776 42A 0.8520
777 4AA 0.8519
778 86J 0.8512
779 AC5 0.8508
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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