Receptor
PDB id Resolution Class Description Source Keywords
2RBX 1.5 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE W191G IN COMPLEX WITH PYRIMIDINE-2,4 TRIAMINE. 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
3AY X:2001;
 Valid;
 none;
 submit data
125.132 C4 H7 N5 c1c(n...
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: 3AY; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 3AY 1 1
2 2ZX 0.5 0.84375
Similar Ligands (3D)
Ligand no: 1; Ligand: 3AY; Similar ligands found: 652
No: Ligand Similarity coefficient
1 13X 1.0000
2 5AN 1.0000
3 WDL 1.0000
4 6UA 1.0000
5 5ZE 1.0000
6 ERH 1.0000
7 AX2 1.0000
8 BR8 0.9998
9 TCZ 0.9809
10 CRS 0.9775
11 2DR 0.9755
12 284 0.9746
13 LG3 0.9742
14 RCO 0.9728
15 URA 0.9723
16 8GF 0.9707
17 LG5 0.9706
18 CYT 0.9703
19 26D 0.9701
20 S76 0.9697
21 3CH 0.9679
22 2A7 0.9654
23 BVF 0.9636
24 JIF 0.9626
25 CIG 0.9622
26 DUC 0.9617
27 XYP 0.9592
28 7MH 0.9591
29 AUD 0.9572
30 T6C 0.9566
31 ZZ3 0.9564
32 35C 0.9562
33 IDH 0.9530
34 M3T 0.9527
35 PYG 0.9523
36 B3R 0.9522
37 4H2 0.9520
38 JFD 0.9511
39 HGQ 0.9511
40 DUB 0.9510
41 G6D 0.9496
42 25W 0.9489
43 7HP 0.9487
44 3FA 0.9487
45 9HX 0.9484
46 HPA 0.9484
47 HEW 0.9479
48 9DA 0.9476
49 MBD 0.9475
50 JZ3 0.9468
51 47J 0.9467
52 2MY 0.9465
53 6MH 0.9464
54 2C9 0.9460
55 ADE 0.9458
56 FFP 0.9453
57 2CM 0.9449
58 BTE 0.9448
59 FLM 0.9438
60 3CE 0.9438
61 GMN 0.9437
62 12M 0.9435
63 TBP 0.9432
64 6MP 0.9416
65 HHQ 0.9416
66 PM6 0.9415
67 7WA 0.9406
68 ES4 0.9401
69 10L 0.9397
70 HPY 0.9393
71 3MC 0.9392
72 BP1 0.9378
73 23A 0.9377
74 ADK 0.9372
75 3MA 0.9372
76 GUN 0.9372
77 285 0.9367
78 FUL 0.9367
79 A2F 0.9364
80 9DG 0.9361
81 6AP 0.9356
82 URF 0.9354
83 IGA 0.9351
84 CYH 0.9346
85 H3M 0.9338
86 CXL 0.9338
87 R8A 0.9334
88 290 0.9334
89 AZG 0.9324
90 AZA 0.9324
91 XAN 0.9323
92 RSF 0.9318
93 A1U 0.9316
94 3MH 0.9315
95 TM4 0.9312
96 CFP 0.9310
97 94N 0.9309
98 4JO 0.9305
99 3ZQ 0.9303
100 40O 0.9299
101 BOA 0.9298
102 141 0.9298
103 ICP 0.9297
104 WBU 0.9297
105 F5B 0.9296
106 TDR 0.9294
107 4ZE 0.9291
108 MWM 0.9285
109 SWD 0.9284
110 92Z 0.9283
111 1MC 0.9277
112 MCT 0.9277
113 QOS 0.9276
114 ORO 0.9270
115 GIO 0.9268
116 DX4 0.9265
117 1XM 0.9264
118 275 0.9263
119 TM7 0.9262
120 XXR 0.9262
121 XYS 0.9260
122 AHR 0.9259
123 NK 0.9258
124 XYD 0.9256
125 2AC 0.9255
126 1XN 0.9254
127 4HO 0.9253
128 YH7 0.9252
129 HAI 0.9250
130 PYD 0.9249
131 GBD 0.9249
132 FP2 0.9249
133 8LG 0.9247
134 XBZ 0.9245
135 CAQ 0.9241
136 43M 0.9238
137 2MP 0.9237
138 2YU 0.9234
139 34A 0.9233
140 3Z7 0.9233
141 HSL 0.9232
142 5UC 0.9231
143 BR9 0.9231
144 V1L 0.9229
145 M2H 0.9228
146 LXC 0.9226
147 OXQ 0.9224
148 6GU 0.9222
149 76X 0.9219
150 IPH 0.9216
151 HT4 0.9214
152 FCB 0.9213
153 4CL 0.9212
154 MZG 0.9211
155 L89 0.9209
156 MFB 0.9208
157 GAG 0.9207
158 5MH 0.9203
159 282 0.9203
160 1AN 0.9202
161 4JJ 0.9201
162 TH0 0.9195
163 RM4 0.9195
164 2AF 0.9193
165 27Y 0.9189
166 FUC 0.9189
167 JZ2 0.9187
168 MWJ 0.9186
169 EXO 0.9186
170 0CU 0.9185
171 RNS 0.9182
172 93Q 0.9178
173 G3F 0.9176
174 KSW 0.9176
175 5JC 0.9176
176 HH5 0.9176
177 DFB 0.9175
178 OXC 0.9173
179 280 0.9171
180 BGC 0.9170
181 286 0.9170
182 HY3 0.9164
183 4AP 0.9163
184 2AP 0.9162
185 MBN 0.9162
186 R8S 0.9161
187 938 0.9160
188 ICC 0.9160
189 278 0.9156
190 OXE 0.9155
191 C2A 0.9151
192 3AP 0.9148
193 SAL 0.9148
194 JZ0 0.9147
195 IPZ 0.9144
196 Y8I 0.9143
197 IFM 0.9143
198 WOT 0.9138
199 II6 0.9137
200 IUR 0.9135
201 MB3 0.9133
202 P3K 0.9132
203 DOR 0.9132
204 9PO 0.9131
205 FUF 0.9129
206 DTI 0.9129
207 A2Q 0.9127
208 5AC 0.9126
209 FPI 0.9126
210 BCP 0.9125
211 60P 0.9124
212 MMZ 0.9122
213 2CH 0.9122
214 2IM 0.9121
215 LGA 0.9120
216 D1X 0.9116
217 HVK 0.9116
218 TLD 0.9116
219 HRZ 0.9116
220 JBE 0.9113
221 GCS 0.9109
222 HTS 0.9108
223 RP7 0.9104
224 34D 0.9104
225 NEQ 0.9104
226 8S0 0.9101
227 BEW 0.9101
228 GLC 0.9094
229 4ZC 0.9093
230 DMI 0.9090
231 1XX 0.9089
232 FPK 0.9088
233 FYU 0.9083
234 AW5 0.9077
235 ES6 0.9076
236 AMC 0.9073
237 6X8 0.9073
238 24T 0.9073
239 0R0 0.9071
240 Q88 0.9071
241 GXE 0.9069
242 BE2 0.9064
243 3U4 0.9064
244 8CL 0.9064
245 7EX 0.9064
246 1WD 0.9059
247 4SV 0.9056
248 DXX 0.9054
249 F81 0.9054
250 NMJ 0.9050
251 RIB 0.9050
252 CWM 0.9050
253 MLT 0.9049
254 ES0 0.9046
255 ABN 0.9046
256 ECE 0.9045
257 SEJ 0.9031
258 DGY 0.9031
259 0CT 0.9031
260 OXZ 0.9030
261 AZF 0.9029
262 M1E 0.9027
263 JKE 0.9026
264 HBX 0.9024
265 TTO 0.9023
266 H76 0.9023
267 O7U 0.9021
268 ARA 0.9020
269 SYN 0.9019
270 ISE 0.9016
271 HYN 0.9015
272 HHN 0.9014
273 TMT 0.9013
274 9EW 0.9013
275 GVH 0.9011
276 64K 0.9010
277 5CL 0.9010
278 SVN 0.9009
279 4JP 0.9007
280 RIP 0.9007
281 INS 0.9004
282 KYD 0.9002
283 GAL 0.9001
284 149 0.9001
285 XQG 0.8999
286 ARB 0.8999
287 PIH 0.8994
288 YAN 0.8993
289 3XX 0.8993
290 F05 0.8992
291 7CZ 0.8991
292 L60 0.8990
293 PYF 0.8989
294 0TR 0.8986
295 KIA 0.8986
296 MPI 0.8982
297 AS3 0.8980
298 CEJ 0.8980
299 0MK 0.8979
300 7HQ 0.8978
301 E60 0.8978
302 23W 0.8978
303 3NT 0.8975
304 4XX 0.8974
305 IND 0.8973
306 FCA 0.8969
307 7WV 0.8968
308 8GC 0.8966
309 JZ1 0.8966
310 BZI 0.8965
311 7NI 0.8965
312 FPY 0.8964
313 4CS 0.8962
314 4AX 0.8960
315 GLA 0.8960
316 DIE 0.8959
317 0R1 0.8959
318 HLR 0.8955
319 4XR 0.8952
320 HQY 0.8951
321 2FG 0.8949
322 BMA 0.8947
323 1LM 0.8946
324 SER 0.8946
325 G4D 0.8944
326 1LQ 0.8944
327 5Q0 0.8944
328 BZF 0.8944
329 LZ1 0.8942
330 NOJ 0.8942
331 HGW 0.8940
332 NBE 0.8938
333 JBH 0.8937
334 JPZ 0.8937
335 93B 0.8937
336 HMH 0.8937
337 1NP 0.8935
338 5SG 0.8935
339 9TY 0.8934
340 C2U 0.8933
341 24W 0.8931
342 5RG 0.8930
343 1MR 0.8930
344 EV0 0.8930
345 YHO 0.8928
346 KIB 0.8928
347 261 0.8926
348 UNC 0.8926
349 N5J 0.8926
350 NTM 0.8925
351 ZZT 0.8921
352 FOT 0.8919
353 5IQ 0.8918
354 1DW 0.8915
355 ES1 0.8914
356 4YS 0.8908
357 IDM 0.8907
358 URQ 0.8905
359 PHT 0.8905
360 GAB 0.8905
361 IP0 0.8901
362 5HN 0.8900
363 HMU 0.8900
364 B53 0.8898
365 I3A 0.8897
366 DEN 0.8896
367 EQT 0.8896
368 IJZ 0.8895
369 8IG 0.8894
370 HJP 0.8893
371 DPF 0.8893
372 AKH 0.8891
373 6HQ 0.8891
374 5M0 0.8891
375 GIF 0.8891
376 9MG 0.8890
377 RAM 0.8889
378 DFU 0.8888
379 M1A 0.8887
380 AGK 0.8886
381 4PW 0.8886
382 ASP 0.8885
383 3HB 0.8884
384 APY 0.8882
385 HH8 0.8880
386 42C 0.8880
387 1SQ 0.8880
388 HZQ 0.8878
389 67N 0.8878
390 MEV 0.8877
391 MT0 0.8875
392 L3Q 0.8874
393 0RW 0.8874
394 O72 0.8874
395 2XX 0.8872
396 3AB 0.8872
397 TMZ 0.8871
398 Q6T 0.8871
399 ADZ 0.8869
400 6CS 0.8869
401 3F0 0.8867
402 ZWZ 0.8867
403 39A 0.8865
404 JZ9 0.8865
405 OVV 0.8864
406 MSN 0.8863
407 VNJ 0.8862
408 495 0.8862
409 7B4 0.8861
410 KLW 0.8859
411 PAF 0.8856
412 PYJ 0.8855
413 HFB 0.8855
414 GIV 0.8854
415 BBF 0.8853
416 150 0.8853
417 XIX 0.8851
418 2H5 0.8850
419 3SK 0.8848
420 GTQ 0.8846
421 F0J 0.8846
422 PY7 0.8846
423 N8P 0.8846
424 BTY 0.8844
425 B24 0.8844
426 2ZV 0.8843
427 1P3 0.8843
428 6AI 0.8839
429 25T 0.8838
430 51F 0.8838
431 B55 0.8835
432 WCE 0.8834
433 MAN 0.8833
434 LGC 0.8832
435 DHK 0.8828
436 4XH 0.8827
437 54G 0.8826
438 BCF 0.8824
439 TFU 0.8823
440 V55 0.8822
441 CYS 0.8822
442 YIO 0.8821
443 1GN 0.8819
444 3BZ 0.8816
445 1WG 0.8816
446 2CQ 0.8816
447 53C 0.8816
448 3M0 0.8813
449 DQN 0.8812
450 GRE 0.8809
451 DBH 0.8809
452 B2J 0.8809
453 F3B 0.8807
454 N7P 0.8806
455 6F0 0.8805
456 IBF 0.8805
457 PXL 0.8803
458 BZX 0.8801
459 KOJ 0.8801
460 5WX 0.8799
461 YTB 0.8799
462 2D0 0.8797
463 BRT 0.8797
464 MBG 0.8796
465 VAL 0.8796
466 F4Z 0.8794
467 3HA 0.8793
468 45C 0.8793
469 GYE 0.8793
470 9TZ 0.8792
471 SHG 0.8790
472 CIZ 0.8790
473 9X7 0.8790
474 KBG 0.8788
475 TC7 0.8786
476 5MK 0.8785
477 JBK 0.8785
478 8TX 0.8785
479 9CL 0.8783
480 75K 0.8781
481 LZM 0.8780
482 LSA 0.8779
483 42A 0.8778
484 URC 0.8777
485 HX3 0.8776
486 ITN 0.8776
487 MFU 0.8776
488 FP1 0.8775
489 PCI 0.8773
490 6M4 0.8772
491 DMG 0.8768
492 2KT 0.8766
493 YSO 0.8763
494 KIV 0.8763
495 PFB 0.8762
496 FE DB1 0.8758
497 YCP 0.8756
498 GLY PRO 0.8755
499 5JL 0.8754
500 SX1 0.8753
501 UEG 0.8751
502 260 0.8750
503 PCR 0.8749
504 CRN 0.8748
505 6LW 0.8746
506 5MB 0.8746
507 4M4 0.8746
508 EUG 0.8746
509 R2B 0.8745
510 BEZ 0.8744
511 MAK 0.8742
512 5H1 0.8742
513 LMR 0.8741
514 DIU 0.8741
515 3OC 0.8741
516 3DM 0.8738
517 2AL 0.8737
518 HLZ 0.8736
519 OEM 0.8736
520 DA1 0.8735
521 PE0 0.8734
522 BEN 0.8733
523 14O 0.8732
524 J1Z 0.8730
525 FDB 0.8730
526 6PC 0.8729
527 12B 0.8728
528 2K4 0.8726
529 LRH 0.8725
530 PLQ 0.8724
531 MZW 0.8722
532 ES9 0.8722
533 5JQ 0.8721
534 LG4 0.8721
535 ABE 0.8721
536 RUU 0.8720
537 F60 0.8719
538 4HM 0.8719
539 6M9 0.8718
540 X6X 0.8718
541 DAB 0.8717
542 AZ8 0.8714
543 MO8 0.8713
544 PA1 0.8713
545 H4N 0.8711
546 HQE 0.8711
547 HSE 0.8711
548 DTL 0.8708
549 HIU 0.8707
550 NCA 0.8706
551 NBZ 0.8702
552 KPL 0.8702
553 5MI 0.8702
554 32O 0.8701
555 4HS 0.8700
556 PXY 0.8697
557 AQO 0.8696
558 FPN 0.8694
559 M1Q 0.8693
560 GOO 0.8693
561 25R 0.8693
562 329 0.8693
563 M5K 0.8692
564 5NU 0.8692
565 270 0.8691
566 AX7 0.8691
567 Q24 0.8690
568 MEW 0.8689
569 FUB 0.8689
570 11S 0.8688
571 SF9 0.8688
572 I1N 0.8687
573 FK1 0.8686
574 24B 0.8680
575 J9W 0.8678
576 NIO 0.8677
577 TZE 0.8677
578 GDE 0.8675
579 3RK 0.8672
580 PZA 0.8671
581 HHA 0.8670
582 ALO 0.8666
583 DRL 0.8666
584 DSN 0.8666
585 4CH 0.8662
586 4HC 0.8662
587 THR 0.8661
588 6M1 0.8660
589 4JN 0.8658
590 GAF 0.8655
591 MLI 0.8655
592 TMH 0.8654
593 3MB 0.8653
594 7VJ 0.8652
595 M6N 0.8651
596 AJ2 0.8649
597 7VS 0.8643
598 EDG 0.8642
599 BML 0.8641
600 IOL 0.8640
601 NVI 0.8639
602 82I 0.8637
603 P92 0.8636
604 C5J 0.8635
605 M1H 0.8635
606 GXL 0.8633
607 PBE 0.8631
608 BAM 0.8626
609 DBJ 0.8620
610 BVC 0.8620
611 G5V 0.8618
612 M0Q 0.8617
613 4XV 0.8613
614 1AB 0.8607
615 QPR 0.8607
616 JAE 0.8605
617 2MI 0.8603
618 MLA 0.8603
619 FGZ 0.8602
620 QX2 0.8599
621 QWW 0.8596
622 5CU 0.8595
623 1LN 0.8592
624 M58 0.8588
625 EA1 0.8587
626 FW5 0.8586
627 M0W 0.8582
628 UNU 0.8581
629 KG7 0.8579
630 PBR 0.8576
631 QUZ 0.8574
632 HUI 0.8567
633 1DH 0.8567
634 D07 0.8564
635 5OB 0.8558
636 6JN 0.8557
637 ASN 0.8555
638 4M0 0.8545
639 NSP 0.8545
640 SS2 0.8539
641 2MN 0.8538
642 NPY 0.8536
643 FA0 0.8533
644 AC0 0.8531
645 ASO 0.8530
646 QSC 0.8530
647 BHA 0.8525
648 DOB 0.8525
649 1P7 0.8525
650 8WT 0.8520
651 UAN 0.8520
652 NTN 0.8506
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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