Receptor
PDB id Resolution Class Description Source Keywords
2rby 1.5 Å EC: 1.11.1.5 1-METHYL-5-IMIDAZOLECARBOXALDEHYDE IN COMPLEX WITH CYTOCHROM PEROXIDASE W191G 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
280 X:2001;
 Valid;
 none;
 submit data
110.114 C5 H6 N2 O Cn1cn...
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: 280; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 280 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 280; Similar ligands found: 778
No: Ligand Similarity coefficient
1 278 0.9850
2 HSL 0.9760
3 MMZ 0.9756
4 4AX 0.9755
5 DMI 0.9755
6 5AC 0.9739
7 R8A 0.9724
8 KSW 0.9718
9 MB3 0.9716
10 DTI 0.9699
11 JZ3 0.9699
12 282 0.9694
13 GAG 0.9675
14 MZ0 0.9674
15 286 0.9673
16 JZ1 0.9650
17 4XX 0.9643
18 8LG 0.9637
19 URA 0.9637
20 NVI 0.9630
21 SYN 0.9628
22 DGY 0.9625
23 92Z 0.9622
24 93Q 0.9620
25 CYT 0.9619
26 CAQ 0.9617
27 HPY 0.9615
28 FP2 0.9615
29 1AN 0.9614
30 HBX 0.9612
31 DUC 0.9611
32 BEW 0.9610
33 76X 0.9609
34 51F 0.9608
35 HYN 0.9606
36 L89 0.9606
37 IPH 0.9603
38 938 0.9599
39 APY 0.9596
40 ABN 0.9591
41 2CH 0.9587
42 LG3 0.9587
43 1AB 0.9581
44 2AF 0.9576
45 26D 0.9572
46 HTS 0.9569
47 2KT 0.9569
48 BVG 0.9565
49 6UA 0.9562
50 PYJ 0.9561
51 NK 0.9559
52 NEQ 0.9555
53 2DR 0.9551
54 RCO 0.9548
55 CRS 0.9546
56 OXE 0.9546
57 2AP 0.9536
58 LGA 0.9536
59 HRZ 0.9529
60 HVK 0.9526
61 BVC 0.9524
62 4AP 0.9520
63 3AP 0.9518
64 8GF 0.9517
65 9CL 0.9517
66 60P 0.9516
67 1MR 0.9516
68 R1X 0.9516
69 R2B 0.9516
70 0R0 0.9511
71 FPI 0.9509
72 9PO 0.9508
73 TMT 0.9506
74 HGQ 0.9505
75 LG5 0.9502
76 GBD 0.9502
77 MBN 0.9492
78 AMC 0.9488
79 H3M 0.9488
80 TMZ 0.9488
81 OXQ 0.9486
82 YAN 0.9483
83 CYS 0.9483
84 XIX 0.9480
85 SER 0.9478
86 BVF 0.9476
87 IMR 0.9475
88 KG7 0.9474
89 HY3 0.9473
90 7EX 0.9471
91 WOT 0.9470
92 HCS 0.9469
93 CEJ 0.9469
94 PY7 0.9466
95 PIH 0.9462
96 B24 0.9462
97 A3B 0.9459
98 A2Q 0.9458
99 PLQ 0.9456
100 WBU 0.9456
101 DSN 0.9455
102 EDG 0.9455
103 1XX 0.9454
104 2EZ 0.9453
105 3ZQ 0.9451
106 E60 0.9450
107 HUI 0.9447
108 HVQ 0.9447
109 24T 0.9446
110 6X8 0.9442
111 URF 0.9439
112 HQE 0.9438
113 PYF 0.9436
114 CYH 0.9436
115 TZE 0.9434
116 PCR 0.9428
117 2IM 0.9427
118 ICP 0.9425
119 SMB 0.9423
120 9X7 0.9421
121 CXL 0.9417
122 284 0.9417
123 FPN 0.9416
124 KIV 0.9414
125 285 0.9412
126 IDH 0.9410
127 PZA 0.9410
128 3PY 0.9407
129 FLA 0.9406
130 93B 0.9405
131 GXE 0.9405
132 40O 0.9403
133 DXX 0.9402
134 4DX 0.9402
135 HIU 0.9400
136 ABA 0.9400
137 BML 0.9397
138 CIG 0.9394
139 L60 0.9394
140 JZ0 0.9391
141 LG4 0.9391
142 J1Z 0.9389
143 0CT 0.9385
144 8CL 0.9385
145 DCY 0.9385
146 03W 0.9381
147 HHN 0.9380
148 39J 0.9380
149 1AC 0.9378
150 JZ9 0.9378
151 PYD 0.9376
152 AKB 0.9374
153 BZI 0.9370
154 0R1 0.9368
155 KYD 0.9367
156 NCA 0.9367
157 GVH 0.9363
158 HAI 0.9362
159 A1U 0.9362
160 V1L 0.9362
161 VAL 0.9360
162 3U4 0.9359
163 BEN 0.9359
164 PRI 0.9355
165 ALO 0.9353
166 DA1 0.9353
167 6PC 0.9350
168 BEZ 0.9346
169 MPI 0.9343
170 PXY 0.9341
171 ECE 0.9340
172 BZF 0.9339
173 MAK 0.9338
174 3CH 0.9334
175 9TY 0.9334
176 THR 0.9333
177 QOS 0.9333
178 IP0 0.9332
179 4JN 0.9327
180 SAL 0.9327
181 BAM 0.9326
182 25R 0.9326
183 IND 0.9326
184 1WD 0.9324
185 RIB 0.9322
186 VNJ 0.9319
187 LDU 0.9317
188 ICC 0.9313
189 4MZ 0.9312
190 RSF 0.9311
191 NIO 0.9311
192 3MC 0.9307
193 4CH 0.9306
194 TTO 0.9306
195 3SK 0.9306
196 3TR 0.9306
197 HPA 0.9305
198 1DU 0.9305
199 LZ1 0.9304
200 23W 0.9303
201 TDR 0.9301
202 4HS 0.9301
203 FOA 0.9301
204 2RA 0.9297
205 1CB 0.9297
206 47J 0.9297
207 TH0 0.9296
208 NBE 0.9296
209 PYC 0.9295
210 MRY 0.9293
211 M2H 0.9289
212 4JP 0.9289
213 OHG 0.9289
214 TM7 0.9288
215 BE2 0.9287
216 BAQ 0.9287
217 GBL 0.9286
218 ADE 0.9284
219 DBB 0.9284
220 4HO 0.9283
221 PRO 0.9283
222 1MC 0.9280
223 3FA 0.9279
224 AMT 0.9278
225 DE2 0.9275
226 HEW 0.9275
227 HOW 0.9273
228 1MZ 0.9272
229 MWM 0.9272
230 5MP 0.9272
231 4H2 0.9271
232 2C9 0.9270
233 AZF 0.9270
234 2MZ 0.9269
235 HSE 0.9269
236 4SV 0.9268
237 AHR 0.9265
238 TZC 0.9265
239 SS2 0.9265
240 JZ5 0.9263
241 6SP 0.9260
242 JZ6 0.9260
243 XYD 0.9260
244 AX2 0.9260
245 ES3 0.9258
246 UNU 0.9257
247 69O 0.9257
248 2AI 0.9257
249 HGW 0.9257
250 DTL 0.9255
251 4ZE 0.9254
252 7WA 0.9254
253 2AC 0.9252
254 MCT 0.9252
255 Z6J 0.9252
256 MR3 0.9251
257 B3R 0.9251
258 192 0.9250
259 DEN 0.9250
260 XBZ 0.9249
261 MZY 0.9249
262 PYG 0.9248
263 GMN 0.9248
264 5KX 0.9248
265 C2A 0.9248
266 3MH 0.9246
267 WDL 0.9246
268 JKE 0.9245
269 IDM 0.9244
270 27Y 0.9242
271 RUU 0.9241
272 7HP 0.9241
273 M3T 0.9240
274 2MY 0.9240
275 JBN 0.9239
276 261 0.9239
277 HSM 0.9238
278 BYZ 0.9235
279 FFP 0.9234
280 PM6 0.9232
281 ES4 0.9230
282 FP1 0.9230
283 HT4 0.9220
284 1LN 0.9215
285 2MP 0.9213
286 12M 0.9212
287 FLM 0.9212
288 5UC 0.9211
289 RP7 0.9210
290 BP1 0.9209
291 9YL 0.9204
292 5MH 0.9203
293 25T 0.9201
294 QSC 0.9201
295 4JJ 0.9200
296 MBD 0.9200
297 4JU 0.9199
298 2MH 0.9199
299 MLI 0.9198
300 10L 0.9197
301 C2N 0.9196
302 BP9 0.9196
303 271 0.9196
304 3XX 0.9195
305 ES6 0.9193
306 2PC 0.9190
307 JZ2 0.9188
308 2XX 0.9187
309 DPR 0.9186
310 DUB 0.9186
311 PBC 0.9185
312 34A 0.9184
313 6MH 0.9182
314 13X 0.9182
315 OXL 0.9182
316 GOL 0.9181
317 MWJ 0.9181
318 2CM 0.9179
319 MZG 0.9178
320 MLA 0.9178
321 2LP 0.9175
322 LER 0.9174
323 OXZ 0.9174
324 4JO 0.9172
325 PYZ 0.9171
326 3AY 0.9171
327 BDR 0.9170
328 40E 0.9169
329 NTN 0.9168
330 7WV 0.9167
331 JZ4 0.9167
332 DFB 0.9165
333 5JC 0.9164
334 7MH 0.9163
335 4CL 0.9163
336 FPY 0.9163
337 FW5 0.9162
338 DAB 0.9158
339 HBA 0.9158
340 NVA 0.9156
341 FYU 0.9154
342 IUR 0.9154
343 ATQ 0.9154
344 SVN 0.9153
345 M58 0.9153
346 6MP 0.9152
347 HHQ 0.9151
348 5ZE 0.9151
349 XYP 0.9150
350 2YU 0.9150
351 3ZS 0.9149
352 9HX 0.9148
353 IOL 0.9147
354 43M 0.9146
355 273 0.9146
356 IHG 0.9143
357 BSX 0.9141
358 9DA 0.9140
359 JAB 0.9138
360 HY1 0.9137
361 5AN 0.9137
362 OXM 0.9135
363 C21 0.9134
364 VGL 0.9134
365 DMG 0.9134
366 FUB 0.9133
367 TFB 0.9130
368 FPK 0.9129
369 TLD 0.9129
370 265 0.9128
371 F81 0.9127
372 4VP 0.9125
373 1PT 0.9125
374 24B 0.9123
375 RSO 0.9122
376 DCD 0.9122
377 IFM 0.9122
378 PCA 0.9122
379 BTE 0.9121
380 3CE 0.9119
381 O7U 0.9116
382 T6C 0.9116
383 NSP 0.9115
384 TM4 0.9115
385 3MT 0.9114
386 BR9 0.9114
387 ZZ3 0.9113
388 YCP 0.9112
389 Y8I 0.9111
390 BZX 0.9110
391 2OP 0.9108
392 1DH 0.9107
393 HMH 0.9106
394 CRN 0.9105
395 TLA 0.9104
396 PBE 0.9104
397 MLM 0.9102
398 PRS 0.9102
399 LAC 0.9101
400 2K4 0.9100
401 4JL 0.9100
402 275 0.9099
403 1SP 0.9096
404 XYS 0.9096
405 ZZT 0.9095
406 LMR 0.9095
407 ERH 0.9095
408 7WG 0.9092
409 SMV 0.9092
410 5H1 0.9092
411 ARA 0.9092
412 SIN 0.9092
413 BR8 0.9089
414 2A7 0.9085
415 TP5 0.9084
416 NBZ 0.9083
417 3Z7 0.9082
418 PYR 0.9081
419 C5J 0.9080
420 SS1 0.9080
421 YHO 0.9075
422 UY7 0.9075
423 OAA 0.9074
424 T2C 0.9073
425 6AI 0.9070
426 ARB 0.9070
427 2ZX 0.9066
428 JIF 0.9065
429 6HQ 0.9065
430 ALA 0.9062
431 MZW 0.9062
432 ES9 0.9061
433 DX4 0.9061
434 DAL 0.9060
435 ASP 0.9054
436 1DQ 0.9051
437 H76 0.9051
438 14J 0.9047
439 AC0 0.9046
440 PRY 0.9043
441 HMU 0.9042
442 QFH 0.9042
443 ITN 0.9042
444 HGY 0.9038
445 9EW 0.9035
446 94N 0.9032
447 GXV 0.9031
448 GUN 0.9029
449 OXD 0.9029
450 MRZ 0.9027
451 L3Q 0.9026
452 PAV 0.9025
453 0TR 0.9024
454 23B 0.9022
455 BUA 0.9018
456 23A 0.9017
457 NAK 0.9017
458 PEL 0.9013
459 ABE 0.9011
460 XAN 0.9008
461 14O 0.9007
462 AGK 0.9006
463 JZ7 0.9006
464 BE7 0.9005
465 RIP 0.9004
466 SWD 0.9003
467 F60 0.9002
468 CIZ 0.9001
469 BAE 0.8998
470 260 0.8998
471 FBA 0.8998
472 5MB 0.8997
473 HH5 0.8997
474 MAE 0.8996
475 HLR 0.8995
476 AZA 0.8994
477 11S 0.8992
478 0MK 0.8992
479 ASN 0.8992
480 IQ0 0.8988
481 NMJ 0.8988
482 PZI 0.8988
483 3GR 0.8986
484 F05 0.8986
485 5MI 0.8985
486 A2F 0.8984
487 IT2 0.8980
488 9DG 0.8978
489 64K 0.8978
490 MLT 0.8974
491 CEE 0.8972
492 H4N 0.8970
493 HLT 0.8970
494 GAB 0.8969
495 32O 0.8969
496 TF4 0.8968
497 NIS 0.8968
498 PEA 0.8968
499 BNS 0.8967
500 IPZ 0.8966
501 ILE 0.8966
502 CSS 0.8965
503 5Y9 0.8964
504 Q88 0.8960
505 MEU 0.8957
506 LXC 0.8956
507 UYA 0.8956
508 3OH 0.8956
509 FK1 0.8955
510 NCM 0.8955
511 6AP 0.8950
512 53C 0.8950
513 HIO 0.8949
514 SAR 0.8947
515 4CS 0.8947
516 GIF 0.8943
517 8EZ 0.8942
518 G2F 0.8941
519 UGC 0.8941
520 1DW 0.8941
521 IGA 0.8941
522 8NY 0.8941
523 AZG 0.8939
524 2ZV 0.8938
525 DFU 0.8937
526 JBE 0.8937
527 3NT 0.8936
528 S76 0.8935
529 HYP 0.8934
530 CP 0.8934
531 290 0.8933
532 0CU 0.8930
533 270 0.8930
534 COI 0.8929
535 YTB 0.8928
536 8H8 0.8928
537 PYM 0.8927
538 CMS 0.8925
539 AAE 0.8923
540 IOM 0.8923
541 98J 0.8922
542 C2B 0.8918
543 HDA 0.8917
544 RHU 0.8915
545 THE 0.8914
546 7CZ 0.8913
547 CFP 0.8912
548 BCP 0.8911
549 ALQ 0.8910
550 MMU 0.8909
551 QUZ 0.8908
552 AC5 0.8908
553 0RW 0.8904
554 6GU 0.8903
555 BUQ 0.8902
556 KOJ 0.8901
557 3HL 0.8900
558 AUD 0.8900
559 BUO 0.8899
560 OVV 0.8899
561 SGL 0.8898
562 141 0.8896
563 TH7 0.8890
564 FUC 0.8890
565 1XM 0.8888
566 YH7 0.8885
567 DAS 0.8883
568 34V 0.8880
569 AX7 0.8880
570 7N0 0.8879
571 BAL 0.8876
572 VAH 0.8872
573 CHT 0.8871
574 B20 0.8871
575 BNZ 0.8871
576 TCZ 0.8870
577 P1R 0.8869
578 SSN 0.8868
579 FUL 0.8868
580 XM0 0.8866
581 0PY 0.8866
582 2HA 0.8864
583 P3K 0.8864
584 DTU 0.8862
585 HX3 0.8861
586 PAF 0.8858
587 NOJ 0.8858
588 CXF 0.8858
589 PAE 0.8858
590 GOO 0.8857
591 ICN 0.8857
592 BU4 0.8853
593 NXA 0.8853
594 4XR 0.8851
595 BOA 0.8850
596 FB1 0.8850
597 FJO 0.8849
598 TEO 0.8849
599 FAN 0.8848
600 TBP 0.8848
601 6F0 0.8846
602 G4D 0.8843
603 3OC 0.8843
604 6CS 0.8842
605 GRE 0.8842
606 6M1 0.8841
607 PHB 0.8841
608 GLC 0.8840
609 PHZ 0.8839
610 ARW 0.8838
611 EGD 0.8835
612 6M4 0.8835
613 HZP 0.8834
614 2AL 0.8832
615 3HB 0.8832
616 LCN 0.8832
617 DTT 0.8831
618 EHM 0.8830
619 BMD 0.8830
620 1WG 0.8828
621 URP 0.8823
622 150 0.8823
623 NPY 0.8822
624 3AB 0.8821
625 ICF 0.8819
626 5MK 0.8816
627 6M9 0.8815
628 P2D 0.8814
629 3HA 0.8814
630 DBH 0.8809
631 4JM 0.8808
632 2CK 0.8806
633 9TZ 0.8806
634 3HR 0.8805
635 3F0 0.8804
636 NPO 0.8804
637 4ZC 0.8803
638 KP6 0.8793
639 FBV 0.8792
640 TAR 0.8787
641 H8N 0.8785
642 3M0 0.8785
643 SRT 0.8785
644 HBS 0.8784
645 Z82 0.8783
646 JFD 0.8783
647 MAN 0.8774
648 2MI 0.8772
649 8GC 0.8772
650 P92 0.8771
651 5NU 0.8768
652 B53 0.8768
653 KPL 0.8766
654 1LQ 0.8766
655 XLS 0.8765
656 ADK 0.8762
657 LRH 0.8762
658 5M0 0.8761
659 ABU 0.8760
660 54G 0.8757
661 SEJ 0.8756
662 M1A 0.8755
663 5RG 0.8755
664 DMJ 0.8754
665 XUL 0.8753
666 ASO 0.8751
667 IFL 0.8747
668 4PW 0.8747
669 MTG 0.8745
670 FCA 0.8741
671 3MA 0.8740
672 LEU 0.8739
673 SX1 0.8738
674 GTQ 0.8738
675 PAB 0.8735
676 FQI 0.8734
677 ZBT 0.8734
678 SJ5 0.8732
679 SHA 0.8731
680 DPF 0.8728
681 2CQ 0.8727
682 45C 0.8723
683 GG6 0.8721
684 FA0 0.8718
685 DOB 0.8718
686 3BZ 0.8718
687 BTL 0.8717
688 MNM 0.8717
689 4M0 0.8717
690 BHA 0.8717
691 I3A 0.8715
692 MED 0.8715
693 ABV 0.8712
694 D2P 0.8710
695 WCE 0.8709
696 TMH 0.8708
697 FRU 0.8708
698 7B4 0.8707
699 5CU 0.8706
700 FUF 0.8704
701 1P3 0.8704
702 GLL 0.8703
703 URQ 0.8703
704 CWM 0.8702
705 ODV 0.8700
706 RM4 0.8696
707 GYE 0.8692
708 GIO 0.8690
709 ES0 0.8685
710 IPB 0.8683
711 BGC 0.8682
712 ISZ 0.8681
713 SR1 0.8681
714 HHA 0.8681
715 RM1 0.8680
716 TAY 0.8678
717 ITU 0.8677
718 SNE 0.8671
719 ETF 0.8667
720 PBZ 0.8666
721 N8P 0.8664
722 IVA 0.8662
723 717 0.8662
724 BHO 0.8660
725 RNS 0.8660
726 T9G 0.8659
727 7HQ 0.8659
728 G6D 0.8659
729 JYD 0.8658
730 FB2 0.8658
731 M6W 0.8654
732 5HN 0.8653
733 6LW 0.8651
734 FCB 0.8644
735 HBD 0.8643
736 1DV 0.8642
737 DCL 0.8640
738 67N 0.8635
739 RAM 0.8635
740 AC6 0.8634
741 PMB 0.8631
742 KMT 0.8630
743 NOY 0.8629
744 3V4 0.8625
745 TC7 0.8625
746 1XN 0.8624
747 ETM 0.8622
748 PEP 0.8621
749 SC2 0.8620
750 HV2 0.8619
751 ROR 0.8616
752 5Q0 0.8614
753 N7P 0.8613
754 N5J 0.8611
755 XXR 0.8609
756 PPI 0.8608
757 FEH 0.8605
758 GLY 0.8605
759 FAH 0.8603
760 OK7 0.8599
761 TZZ 0.8599
762 GLV 0.8597
763 GOA 0.8597
764 MFB 0.8597
765 SPV 0.8591
766 CFI 0.8591
767 1Y6 0.8587
768 DGJ 0.8584
769 2D0 0.8579
770 3DM 0.8578
771 GAL 0.8575
772 PPF 0.8571
773 RB5 0.8565
774 LYL 0.8565
775 NIE 0.8563
776 AKR 0.8555
777 6JN 0.8540
778 FCN 0.8517
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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