Receptor
PDB id Resolution Class Description Source Keywords
2RBZ 1.8 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE W191G IN COMPLEX 3-METHOXYPYRIDINE SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE
Ref.: RESCORING DOCKING HIT LISTS FOR MODEL CAVITY SITES: PREDICTIONS AND EXPERIMENTAL TESTING. J.MOL.BIOL. V. 377 914 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
282 X:2001;
Valid;
none;
submit data
109.126 C6 H7 N O COc1c...
HEM X:400;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
PO4 X:1001;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
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: 282; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 282 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 282; Similar ligands found: 1007
No: Ligand Similarity coefficient
1 HBX 1.0000
2 1MR 1.0000
3 NBE 1.0000
4 ABN 1.0000
5 SYN 1.0000
6 PYF 1.0000
7 PY7 1.0000
8 FPI 1.0000
9 AMC 1.0000
10 9CL 0.9886
11 NVI 0.9883
12 APY 0.9878
13 PYJ 0.9861
14 HVQ 0.9840
15 GXE 0.9832
16 8CL 0.9821
17 IPH 0.9813
18 MZ0 0.9807
19 BEN 0.9807
20 MBN 0.9804
21 4AP 0.9797
22 2AP 0.9785
23 CXL 0.9785
24 3AP 0.9783
25 CYH 0.9783
26 WOT 0.9782
27 HVK 0.9776
28 1DU 0.9776
29 JZ3 0.9770
30 BEZ 0.9769
31 HRZ 0.9766
32 HHN 0.9757
33 HAI 0.9754
34 NCA 0.9753
35 1PT 0.9751
36 LGA 0.9747
37 NIO 0.9746
38 B24 0.9744
39 YCP 0.9744
40 TTO 0.9741
41 V1L 0.9737
42 9PO 0.9735
43 NTN 0.9733
44 RSO 0.9730
45 BAM 0.9726
46 2IM 0.9716
47 FOA 0.9716
48 PBC 0.9715
49 R8A 0.9712
50 VGL 0.9711
51 93B 0.9710
52 PZA 0.9705
53 LZ1 0.9704
54 0R1 0.9703
55 PLQ 0.9702
56 GVH 0.9702
57 4JU 0.9696
58 4JP 0.9695
59 DEN 0.9695
60 280 0.9694
61 6PC 0.9693
62 2MH 0.9693
63 HQE 0.9692
64 DA1 0.9692
65 IDM 0.9690
66 IND 0.9688
67 NBZ 0.9688
68 LG4 0.9686
69 PIH 0.9679
70 MPI 0.9677
71 BZF 0.9677
72 8GF 0.9675
73 FPN 0.9673
74 BVG 0.9670
75 BVC 0.9669
76 PRO 0.9666
77 PYC 0.9664
78 HGW 0.9662
79 26D 0.9661
80 BZI 0.9660
81 PCR 0.9659
82 0R0 0.9656
83 AC0 0.9656
84 A2Q 0.9651
85 RCO 0.9648
86 CYT 0.9642
87 JZ7 0.9641
88 LG5 0.9640
89 NK 0.9640
90 UNU 0.9636
91 J1Z 0.9633
92 SS1 0.9632
93 ECE 0.9629
94 25R 0.9629
95 BE7 0.9627
96 HBA 0.9627
97 QSC 0.9626
98 286 0.9625
99 2EZ 0.9624
100 URA 0.9622
101 0CT 0.9620
102 BML 0.9618
103 JBN 0.9617
104 L60 0.9616
105 CRS 0.9615
106 4CH 0.9614
107 278 0.9614
108 LG3 0.9611
109 URF 0.9610
110 JZ5 0.9603
111 WBU 0.9602
112 PXY 0.9601
113 BVF 0.9599
114 C21 0.9598
115 FAN 0.9596
116 SS2 0.9596
117 M58 0.9593
118 4HS 0.9593
119 TZC 0.9593
120 284 0.9591
121 BNS 0.9590
122 PRI 0.9588
123 PHB 0.9587
124 SMV 0.9586
125 HPY 0.9586
126 BP9 0.9582
127 OXQ 0.9581
128 ICC 0.9580
129 H3M 0.9578
130 273 0.9578
131 MCT 0.9576
132 265 0.9573
133 2PC 0.9572
134 4HO 0.9567
135 4ZE 0.9565
136 5AC 0.9563
137 2AC 0.9563
138 AHR 0.9562
139 IDH 0.9561
140 9X7 0.9561
141 GAG 0.9554
142 MLI 0.9551
143 R2B 0.9549
144 A1U 0.9547
145 GBD 0.9545
146 4VP 0.9545
147 4CL 0.9545
148 1AB 0.9545
149 TDR 0.9544
150 JZ9 0.9543
151 MZW 0.9543
152 MWM 0.9542
153 JAB 0.9540
154 TP5 0.9538
155 1MC 0.9538
156 DUC 0.9537
157 3CH 0.9536
158 4JN 0.9533
159 PYD 0.9529
160 ICP 0.9529
161 4H2 0.9523
162 PEA 0.9522
163 CYS 0.9519
164 XYD 0.9517
165 DPR 0.9514
166 4JJ 0.9514
167 CIG 0.9512
168 HYN 0.9510
169 IMR 0.9508
170 IT2 0.9508
171 JZ1 0.9507
172 RSF 0.9507
173 HSM 0.9506
174 SAL 0.9506
175 27Y 0.9500
176 JZ2 0.9499
177 R1X 0.9498
178 270 0.9497
179 CEJ 0.9496
180 HGQ 0.9496
181 MAK 0.9495
182 MZG 0.9495
183 BR9 0.9494
184 FBA 0.9493
185 TZE 0.9491
186 XBZ 0.9490
187 JBE 0.9486
188 2MP 0.9484
189 25T 0.9484
190 34A 0.9484
191 M3T 0.9483
192 DMG 0.9483
193 OHG 0.9482
194 HEW 0.9479
195 4SV 0.9478
196 IOL 0.9478
197 3PY 0.9477
198 FPY 0.9475
199 4XR 0.9475
200 MLA 0.9474
201 2KT 0.9471
202 BE2 0.9470
203 1DH 0.9469
204 H8N 0.9469
205 3U4 0.9467
206 PRS 0.9464
207 C2A 0.9463
208 HY3 0.9463
209 MWJ 0.9452
210 B3R 0.9451
211 5UC 0.9450
212 MRZ 0.9450
213 4XX 0.9450
214 CXF 0.9448
215 271 0.9446
216 24T 0.9441
217 XIX 0.9437
218 2CH 0.9436
219 2DR 0.9434
220 3ZQ 0.9433
221 ES6 0.9430
222 60P 0.9430
223 HIU 0.9430
224 TH0 0.9429
225 NEQ 0.9427
226 4JL 0.9427
227 DGY 0.9426
228 MLM 0.9422
229 VAL 0.9422
230 CEE 0.9421
231 2YU 0.9420
232 E60 0.9419
233 275 0.9419
234 TFB 0.9418
235 HHQ 0.9417
236 C2B 0.9416
237 ALO 0.9413
238 HPA 0.9411
239 DAB 0.9411
240 PEL 0.9411
241 TMZ 0.9409
242 8GC 0.9409
243 AX7 0.9408
244 EDG 0.9407
245 7EX 0.9406
246 SMB 0.9402
247 NMJ 0.9402
248 NPO 0.9402
249 LDU 0.9401
250 PCA 0.9398
251 OAA 0.9396
252 BEW 0.9396
253 2MI 0.9396
254 P92 0.9395
255 HY1 0.9395
256 03W 0.9393
257 HT4 0.9392
258 5JC 0.9390
259 3SK 0.9388
260 5MH 0.9388
261 FP1 0.9385
262 HUI 0.9385
263 HSE 0.9385
264 TM7 0.9382
265 SIN 0.9381
266 FUM 0.9381
267 BZX 0.9376
268 ADE 0.9373
269 23A 0.9372
270 JKE 0.9371
271 KOJ 0.9367
272 4JM 0.9367
273 43M 0.9366
274 285 0.9365
275 RIB 0.9365
276 3NT 0.9363
277 SVN 0.9363
278 3AB 0.9363
279 0TR 0.9362
280 ATQ 0.9360
281 KG7 0.9357
282 6X8 0.9354
283 2LP 0.9351
284 51F 0.9351
285 P2D 0.9349
286 7HP 0.9348
287 9DA 0.9347
288 10L 0.9347
289 ABV 0.9346
290 23W 0.9346
291 UY7 0.9345
292 14J 0.9344
293 1WD 0.9344
294 3MT 0.9343
295 69O 0.9337
296 7WG 0.9336
297 MZY 0.9335
298 HBD 0.9335
299 KIV 0.9334
300 1Y6 0.9333
301 54D 0.9332
302 VNJ 0.9330
303 ABA 0.9330
304 AMT 0.9329
305 DSN 0.9329
306 GAB 0.9327
307 HTS 0.9326
308 3MC 0.9325
309 C5J 0.9324
310 HYP 0.9320
311 FEH 0.9319
312 HLR 0.9318
313 6AI 0.9316
314 MRY 0.9313
315 9HX 0.9312
316 FFP 0.9311
317 GMN 0.9311
318 3HB 0.9311
319 FLM 0.9310
320 1CB 0.9309
321 XYP 0.9309
322 PYG 0.9308
323 1DQ 0.9305
324 2C9 0.9305
325 4CS 0.9305
326 2CK 0.9304
327 SER 0.9304
328 261 0.9302
329 5MI 0.9300
330 938 0.9299
331 6MP 0.9296
332 2XX 0.9296
333 DFB 0.9296
334 TMT 0.9295
335 BP1 0.9295
336 TM4 0.9295
337 QUZ 0.9294
338 14O 0.9294
339 AGK 0.9293
340 7WA 0.9293
341 ES4 0.9292
342 5MB 0.9292
343 4MZ 0.9292
344 5MP 0.9290
345 2K4 0.9289
346 F05 0.9287
347 93Q 0.9285
348 53C 0.9285
349 9YL 0.9284
350 XM0 0.9284
351 MLT 0.9283
352 WCE 0.9278
353 F60 0.9278
354 PAB 0.9278
355 9EW 0.9277
356 0RW 0.9277
357 5H1 0.9276
358 CAQ 0.9276
359 2MZ 0.9272
360 PM6 0.9270
361 MBD 0.9269
362 40O 0.9269
363 4JO 0.9268
364 JZ6 0.9268
365 HZP 0.9267
366 5HN 0.9267
367 47J 0.9266
368 LER 0.9264
369 BAQ 0.9264
370 Z82 0.9261
371 OVV 0.9260
372 PYZ 0.9259
373 LXC 0.9259
374 NPY 0.9255
375 CFI 0.9254
376 8LG 0.9254
377 DXX 0.9254
378 7CZ 0.9253
379 3FA 0.9252
380 7WV 0.9252
381 3BZ 0.9252
382 6M4 0.9251
383 92Z 0.9250
384 2MY 0.9249
385 ES9 0.9249
386 DTL 0.9249
387 5KX 0.9249
388 Y8I 0.9247
389 BYZ 0.9247
390 L89 0.9246
391 BRT 0.9243
392 1MZ 0.9242
393 MR3 0.9242
394 3OC 0.9241
395 1XX 0.9237
396 6SP 0.9236
397 FP2 0.9236
398 ES3 0.9235
399 MMZ 0.9234
400 1AN 0.9232
401 GIF 0.9231
402 P72 0.9231
403 XBT 0.9230
404 T2C 0.9228
405 6M9 0.9227
406 C2N 0.9226
407 6MH 0.9225
408 3TR 0.9222
409 HOW 0.9222
410 AX2 0.9220
411 HCS 0.9220
412 S76 0.9219
413 JAE 0.9218
414 11S 0.9217
415 FQI 0.9217
416 3XX 0.9217
417 ASN 0.9216
418 2ZX 0.9216
419 BTE 0.9215
420 IUR 0.9215
421 KYD 0.9215
422 5ZE 0.9214
423 JIF 0.9212
424 4MA 0.9211
425 TZL 0.9210
426 ZBT 0.9210
427 FLA 0.9209
428 AZF 0.9209
429 ASP 0.9207
430 ISZ 0.9207
431 UGC 0.9205
432 OXZ 0.9204
433 3AY 0.9203
434 3CE 0.9203
435 TLD 0.9203
436 IP0 0.9202
437 2AF 0.9202
438 GBL 0.9198
439 NIZ 0.9198
440 2CM 0.9197
441 NVA 0.9195
442 RUU 0.9194
443 JZ0 0.9194
444 WDL 0.9190
445 FYU 0.9189
446 BHO 0.9188
447 KSW 0.9187
448 HSL 0.9187
449 8NY 0.9186
450 NSP 0.9185
451 F81 0.9184
452 BSX 0.9182
453 DCY 0.9182
454 Q88 0.9182
455 FK1 0.9182
456 GLC 0.9182
457 H4N 0.9180
458 HDA 0.9180
459 6UA 0.9179
460 URP 0.9178
461 DBB 0.9177
462 A3B 0.9177
463 FB2 0.9176
464 826 0.9174
465 THR 0.9174
466 LMR 0.9174
467 2AI 0.9173
468 AC6 0.9173
469 76X 0.9172
470 717 0.9172
471 GOL 0.9169
472 TH7 0.9168
473 HIO 0.9167
474 P3K 0.9166
475 ILE 0.9165
476 OXE 0.9163
477 9TY 0.9161
478 I1E 0.9161
479 PBZ 0.9161
480 ITN 0.9160
481 SW7 0.9159
482 YHO 0.9156
483 174 0.9155
484 SSN 0.9154
485 HX3 0.9154
486 2RA 0.9153
487 8EZ 0.9152
488 3M0 0.9150
489 MB3 0.9150
490 DUB 0.9149
491 PRY 0.9149
492 M6W 0.9148
493 IFM 0.9148
494 HMH 0.9146
495 JZ4 0.9145
496 AAE 0.9142
497 DMI 0.9140
498 IQ0 0.9139
499 PBE 0.9138
500 AC5 0.9137
501 PMB 0.9137
502 M2H 0.9136
503 0MK 0.9135
504 MAE 0.9134
505 4FA 0.9133
506 24B 0.9131
507 258 0.9128
508 1DJ 0.9128
509 NMG 0.9128
510 MXN 0.9127
511 NOJ 0.9125
512 ZZT 0.9120
513 HHA 0.9120
514 SAR 0.9118
515 FW5 0.9116
516 CRN 0.9116
517 TLA 0.9112
518 FBJ 0.9112
519 ERH 0.9112
520 64K 0.9111
521 OK7 0.9110
522 3HL 0.9106
523 AKB 0.9105
524 3F0 0.9105
525 3MH 0.9103
526 QOS 0.9102
527 2A7 0.9100
528 7MH 0.9100
529 ES0 0.9099
530 O7U 0.9099
531 13X 0.9096
532 DTI 0.9096
533 RIP 0.9095
534 XYS 0.9095
535 268 0.9093
536 PZI 0.9093
537 3Z7 0.9092
538 HMU 0.9091
539 CWM 0.9091
540 RP7 0.9090
541 JBK 0.9087
542 40E 0.9087
543 3OH 0.9086
544 QY9 0.9084
545 1DW 0.9082
546 TPA 0.9082
547 YAN 0.9080
548 FUB 0.9079
549 PAE 0.9079
550 CIZ 0.9078
551 ZZ3 0.9077
552 JFJ 0.9076
553 3HA 0.9075
554 DBH 0.9075
555 ABU 0.9074
556 Z6J 0.9074
557 BAL 0.9073
558 BUA 0.9070
559 IHG 0.9070
560 H76 0.9069
561 COI 0.9069
562 DHB 0.9069
563 BAE 0.9068
564 1WG 0.9066
565 THE 0.9065
566 PAC 0.9061
567 FBM 0.9061
568 67N 0.9057
569 1LN 0.9056
570 1P3 0.9056
571 M1A 0.9055
572 R8S 0.9053
573 5AN 0.9049
574 GYE 0.9048
575 MNN 0.9046
576 BR8 0.9045
577 DYA 0.9044
578 NXA 0.9041
579 ARA 0.9039
580 L3Q 0.9038
581 IF7 0.9038
582 32O 0.9037
583 35C 0.9037
584 8H8 0.9036
585 JYD 0.9035
586 FUC 0.9033
587 2ZV 0.9031
588 TEO 0.9029
589 150 0.9029
590 N5J 0.9029
591 LEA 0.9029
592 SPA 0.9027
593 24W 0.9027
594 1SQ 0.9024
595 94N 0.9024
596 URS 0.9024
597 6F0 0.9021
598 2CQ 0.9021
599 4AX 0.9020
600 82I 0.9019
601 YRL 0.9019
602 4ZC 0.9017
603 MEU 0.9015
604 1LQ 0.9014
605 1NP 0.9013
606 5CU 0.9013
607 JPZ 0.9012
608 FUL 0.9011
609 BMD 0.9008
610 P9P 0.9007
611 AEF 0.9005
612 T6C 0.9003
613 ES1 0.9001
614 DFU 0.9001
615 4YS 0.9001
616 DTT 0.9001
617 7N0 0.9001
618 5IQ 0.9000
619 5SG 0.9000
620 ARB 0.8999
621 HQY 0.8999
622 INO 0.8999
623 IOM 0.8998
624 DTU 0.8997
625 EGD 0.8997
626 4NC 0.8995
627 BU4 0.8993
628 JBH 0.8992
629 SHA 0.8986
630 DHR 0.8985
631 RBJ 0.8984
632 1LM 0.8984
633 MMU 0.8984
634 ICF 0.8982
635 5Q0 0.8982
636 3ID 0.8982
637 TCZ 0.8981
638 7A8 0.8980
639 45C 0.8979
640 SNE 0.8979
641 1DV 0.8979
642 ORO 0.8979
643 JLZ 0.8977
644 LEU 0.8976
645 MYJ 0.8976
646 GRE 0.8976
647 ADZ 0.8975
648 PHU 0.8974
649 DGJ 0.8973
650 7B4 0.8973
651 2D0 0.8972
652 ES5 0.8972
653 2HA 0.8972
654 NNO 0.8972
655 3HR 0.8971
656 98J 0.8970
657 JFD 0.8968
658 ORN 0.8968
659 G4D 0.8967
660 CP 0.8966
661 SRT 0.8964
662 5WV 0.8961
663 NYL 0.8957
664 6M1 0.8956
665 LCN 0.8955
666 PAF 0.8955
667 9TZ 0.8953
668 CSS 0.8952
669 3HM 0.8950
670 LYL 0.8949
671 DAS 0.8948
672 XX2 0.8947
673 CLW 0.8944
674 GLL 0.8942
675 2RH 0.8941
676 LRH 0.8939
677 AZA 0.8938
678 FA0 0.8938
679 F9P 0.8938
680 FUF 0.8936
681 ISN 0.8935
682 ES7 0.8934
683 260 0.8934
684 F4Z 0.8931
685 XQ0 0.8931
686 2HO 0.8931
687 4M0 0.8929
688 IFL 0.8928
689 MAN 0.8928
690 ET2 0.8927
691 5NU 0.8925
692 3V4 0.8925
693 CFP 0.8925
694 4A3 0.8924
695 TAR 0.8923
696 IZC 0.8922
697 FHB 0.8922
698 G2F 0.8922
699 93K 0.8922
700 URQ 0.8920
701 HH5 0.8920
702 1SP 0.8920
703 DOB 0.8919
704 7W4 0.8918
705 HX2 0.8918
706 GJZ 0.8917
707 HH8 0.8914
708 GUN 0.8914
709 1AC 0.8912
710 FBV 0.8911
711 5M0 0.8910
712 KKN 0.8907
713 5RG 0.8906
714 5VM 0.8906
715 COU 0.8905
716 RHU 0.8904
717 XCZ 0.8903
718 OXC 0.8900
719 192 0.8900
720 GAL 0.8898
721 A2F 0.8897
722 H42 0.8897
723 ABE 0.8896
724 ASO 0.8894
725 SX1 0.8894
726 3ZS 0.8893
727 DMD 0.8893
728 DOR 0.8893
729 PKU 0.8893
730 ITU 0.8892
731 54G 0.8890
732 1XM 0.8890
733 N4B 0.8890
734 BOA 0.8889
735 51R 0.8888
736 AOA 0.8888
737 4FS 0.8888
738 LT1 0.8887
739 1P8 0.8886
740 FB1 0.8886
741 I3A 0.8886
742 RB5 0.8884
743 CHB 0.8884
744 IPU 0.8883
745 SPV 0.8883
746 12M 0.8883
747 IGA 0.8883
748 BCP 0.8882
749 6AP 0.8882
750 S0H 0.8882
751 MR1 0.8881
752 2AQ 0.8881
753 36R 0.8880
754 XAN 0.8880
755 1P7 0.8880
756 VGD 0.8879
757 PGA 0.8875
758 BUB 0.8875
759 TBP 0.8873
760 4SD 0.8873
761 JB5 0.8871
762 6CS 0.8871
763 D1X 0.8871
764 UYA 0.8869
765 DX4 0.8869
766 G3F 0.8869
767 FCR 0.8867
768 IVA 0.8867
769 9DG 0.8867
770 H95 0.8866
771 5B1 0.8865
772 BHA 0.8864
773 03V 0.8863
774 3SL 0.8862
775 XIY 0.8862
776 7HQ 0.8861
777 5OB 0.8861
778 MNM 0.8859
779 QSB 0.8857
780 SGL 0.8857
781 RM1 0.8857
782 ES2 0.8856
783 PZM 0.8855
784 4XH 0.8854
785 1XN 0.8853
786 3GR 0.8853
787 141 0.8853
788 EQT 0.8852
789 9TW 0.8851
790 BZ3 0.8850
791 AZG 0.8850
792 YTB 0.8850
793 GTQ 0.8847
794 DMJ 0.8844
795 A8C 0.8843
796 LZM 0.8843
797 SOE 0.8842
798 TC7 0.8841
799 PRA 0.8840
800 I4B 0.8839
801 M4T 0.8839
802 GIO 0.8838
803 290 0.8837
804 SLP 0.8836
805 MSF 0.8836
806 K2T 0.8835
807 5MK 0.8834
808 4P5 0.8834
809 XUL 0.8831
810 7MU 0.8831
811 YH7 0.8829
812 T9G 0.8829
813 G6D 0.8829
814 MTG 0.8828
815 GOO 0.8827
816 CHT 0.8827
817 42A 0.8826
818 6GU 0.8825
819 AHB 0.8824
820 IHB 0.8824
821 FBW 0.8823
822 XRG 0.8823
823 BNF 0.8822
824 BGC 0.8822
825 OXL 0.8821
826 SR1 0.8819
827 MET 0.8818
828 OCH 0.8817
829 1M2 0.8815
830 NCM 0.8814
831 KMT 0.8813
832 264 0.8811
833 NOY 0.8808
834 B20 0.8807
835 34D 0.8807
836 ODV 0.8805
837 TSU 0.8797
838 ICN 0.8796
839 3DM 0.8794
840 QWN 0.8794
841 ARW 0.8793
842 IPB 0.8793
843 SEJ 0.8791
844 BXO 0.8786
845 FBB 0.8785
846 AAS 0.8785
847 AW5 0.8785
848 0PY 0.8781
849 4JT 0.8781
850 JA8 0.8780
851 BNZ 0.8780
852 LDP 0.8776
853 DHK 0.8776
854 0CU 0.8775
855 FJO 0.8771
856 OXM 0.8771
857 F9Y 0.8770
858 SWD 0.8770
859 V55 0.8769
860 B2J 0.8768
861 FCA 0.8763
862 45L 0.8762
863 ADK 0.8762
864 HV2 0.8759
865 2AL 0.8759
866 SAN 0.8758
867 PEP 0.8758
868 PYR 0.8757
869 P1R 0.8757
870 BDF 0.8756
871 PHZ 0.8756
872 XQG 0.8755
873 FPK 0.8746
874 J9T 0.8744
875 4HM 0.8743
876 KPL 0.8742
877 069 0.8739
878 MED 0.8739
879 B53 0.8738
880 OHP 0.8735
881 PYM 0.8734
882 GLU 0.8734
883 2BG 0.8734
884 XLS 0.8732
885 DHS 0.8732
886 GLA 0.8731
887 6HQ 0.8724
888 DIE 0.8722
889 QXW 0.8721
890 2A9 0.8720
891 SJ5 0.8719
892 GAF 0.8715
893 4NM 0.8715
894 2AS 0.8714
895 GDE 0.8714
896 R8V 0.8714
897 OXD 0.8713
898 MPD 0.8709
899 GXL 0.8708
900 RM4 0.8705
901 DCL 0.8704
902 OPE 0.8704
903 4M4 0.8703
904 BUO 0.8702
905 GG6 0.8702
906 7VD 0.8700
907 PG3 0.8699
908 F0J 0.8699
909 3DO 0.8697
910 149 0.8695
911 FBS 0.8694
912 PAV 0.8693
913 EV0 0.8688
914 MSN 0.8688
915 RMN 0.8681
916 EUG 0.8678
917 M1E 0.8676
918 2FG 0.8675
919 42J 0.8673
920 AS3 0.8672
921 RNS 0.8669
922 1SA 0.8669
923 PUT 0.8668
924 2H5 0.8667
925 OTR 0.8666
926 ETX 0.8666
927 AUD 0.8664
928 25W 0.8663
929 4J8 0.8661
930 DAL 0.8660
931 LAC 0.8660
932 9RW 0.8658
933 TB6 0.8657
934 K34 0.8657
935 SC2 0.8656
936 ISU 0.8656
937 6LW 0.8655
938 X6X 0.8654
939 SMN 0.8654
940 SWA 0.8654
941 IPZ 0.8654
942 8WT 0.8654
943 F5B 0.8647
944 HDH 0.8647
945 4AA 0.8646
946 FCB 0.8644
947 EKZ 0.8643
948 BTL 0.8643
949 8OZ 0.8641
950 4WL 0.8641
951 SKM 0.8638
952 AKG 0.8635
953 173 0.8634
954 A7W 0.8633
955 HGY 0.8633
956 BTY 0.8631
957 TMH 0.8627
958 MFB 0.8624
959 ALA 0.8623
960 2OP 0.8622
961 OVP 0.8621
962 URC 0.8620
963 FDK 0.8618
964 2EC 0.8618
965 DCD 0.8617
966 RAM 0.8614
967 TAU 0.8611
968 2HE 0.8610
969 5JQ 0.8610
970 3FH 0.8606
971 HJP 0.8606
972 CWS 0.8606
973 NK2 0.8606
974 K5W 0.8604
975 TIU 0.8604
976 1GN 0.8604
977 5QX 0.8601
978 259 0.8600
979 3MA 0.8600
980 ETM 0.8599
981 FGZ 0.8599
982 0V5 0.8598
983 FCN 0.8596
984 ZXD 0.8591
985 4XV 0.8589
986 0P6 0.8580
987 B55 0.8578
988 KUF 0.8578
989 5JL 0.8575
990 OVM 0.8574
991 7W1 0.8573
992 XXR 0.8572
993 IV2 0.8572
994 GOJ 0.8572
995 8TX 0.8570
996 13P 0.8567
997 PA1 0.8566
998 75K 0.8561
999 FA1 0.8560
1000 9X6 0.8554
1001 MRW 0.8553
1002 UNC 0.8549
1003 XAZ 0.8544
1004 86J 0.8533
1005 I2M 0.8531
1006 MZB 0.8528
1007 MT0 0.8514
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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