Receptor
PDB id Resolution Class Description Source Keywords
2rc1 2.49 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE W191G IN COMPLEX WITH 2,4,5-TRIMETHY OXAZOLINE 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
285 X:2001;
 Valid;
 none;
 submit data
115.174 C6 H13 N O CC1[C...
HEM X: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: 285; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 285 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 285; Similar ligands found: 714
No: Ligand Similarity coefficient
1 MB3 0.9846
2 H3M 0.9836
3 DTI 0.9786
4 938 0.9770
5 2CH 0.9752
6 92Z 0.9751
7 L89 0.9742
8 76X 0.9737
9 2AF 0.9737
10 8LG 0.9733
11 CAQ 0.9730
12 1AN 0.9730
13 FP2 0.9728
14 HTS 0.9727
15 OXE 0.9721
16 CYT 0.9718
17 26D 0.9717
18 MMZ 0.9716
19 CRS 0.9711
20 JZ0 0.9709
21 LG3 0.9709
22 93Q 0.9707
23 URA 0.9695
24 RCO 0.9690
25 8GF 0.9687
26 3CH 0.9680
27 BEW 0.9677
28 YAN 0.9675
29 BVF 0.9667
30 LG5 0.9663
31 TDR 0.9657
32 XYD 0.9648
33 HPY 0.9642
34 HSL 0.9642
35 HGQ 0.9640
36 6X8 0.9638
37 URF 0.9638
38 24T 0.9629
39 KSW 0.9625
40 4DX 0.9624
41 A1U 0.9619
42 CIG 0.9617
43 HYN 0.9615
44 B3R 0.9611
45 4H2 0.9606
46 5UC 0.9604
47 2MP 0.9604
48 IPH 0.9603
49 M3T 0.9602
50 34A 0.9601
51 HEW 0.9596
52 CEJ 0.9594
53 DMI 0.9587
54 E60 0.9586
55 IDH 0.9586
56 XBZ 0.9578
57 2AC 0.9574
58 TH0 0.9570
59 MBN 0.9569
60 TMT 0.9564
61 3AP 0.9564
62 3ZQ 0.9564
63 WBU 0.9563
64 1MC 0.9561
65 4JJ 0.9559
66 6UA 0.9559
67 2YU 0.9557
68 MZG 0.9556
69 TM7 0.9554
70 WOT 0.9553
71 ICP 0.9552
72 43M 0.9548
73 MLT 0.9547
74 MCT 0.9547
75 DUC 0.9546
76 2AP 0.9545
77 9PO 0.9545
78 HVK 0.9545
79 JZ2 0.9538
80 4AP 0.9536
81 M2H 0.9535
82 HRZ 0.9534
83 2IM 0.9533
84 MWM 0.9533
85 XIX 0.9532
86 HT4 0.9532
87 4CL 0.9531
88 A2Q 0.9527
89 4ZE 0.9525
90 TLD 0.9524
91 BR9 0.9523
92 4AX 0.9522
93 LGA 0.9518
94 SYN 0.9517
95 L60 0.9516
96 93B 0.9508
97 8CL 0.9506
98 PYD 0.9503
99 27Y 0.9502
100 JZ3 0.9502
101 25T 0.9500
102 4JO 0.9492
103 HHQ 0.9487
104 MWJ 0.9485
105 GXE 0.9484
106 2DR 0.9484
107 CXL 0.9484
108 1XX 0.9482
109 4HO 0.9477
110 275 0.9475
111 MBD 0.9473
112 47J 0.9465
113 284 0.9456
114 QOS 0.9455
115 DXX 0.9447
116 5JC 0.9444
117 PYG 0.9443
118 TTO 0.9441
119 AX2 0.9441
120 V1L 0.9440
121 2MY 0.9438
122 NK 0.9435
123 WDL 0.9434
124 5MH 0.9433
125 HHN 0.9432
126 3FA 0.9430
127 7EX 0.9429
128 2KT 0.9420
129 DUB 0.9416
130 FFP 0.9416
131 CYH 0.9414
132 IUR 0.9412
133 3CE 0.9412
134 280 0.9412
135 6MH 0.9409
136 3MC 0.9407
137 13X 0.9405
138 2CM 0.9401
139 HAI 0.9398
140 286 0.9397
141 2C9 0.9396
142 KG7 0.9394
143 5ZE 0.9393
144 40O 0.9391
145 TMZ 0.9390
146 GMN 0.9385
147 PIH 0.9384
148 C2A 0.9375
149 Y8I 0.9374
150 3AY 0.9367
151 282 0.9365
152 278 0.9362
153 2ZX 0.9362
154 YHO 0.9358
155 HBX 0.9358
156 NVI 0.9357
157 1DH 0.9352
158 FLM 0.9346
159 MLM 0.9343
160 J1Z 0.9338
161 HGW 0.9335
162 TM4 0.9333
163 NBE 0.9328
164 PYJ 0.9326
165 2XX 0.9325
166 IFM 0.9325
167 MRY 0.9323
168 PYF 0.9322
169 DAB 0.9322
170 DMG 0.9320
171 BAQ 0.9318
172 AMC 0.9317
173 APY 0.9317
174 0R0 0.9315
175 ABN 0.9314
176 CYS 0.9310
177 FPY 0.9308
178 23W 0.9307
179 BVC 0.9305
180 5AN 0.9299
181 MLI 0.9295
182 PY7 0.9294
183 MLA 0.9293
184 ASP 0.9292
185 GBL 0.9287
186 C5J 0.9286
187 HIU 0.9286
188 94N 0.9283
189 FPI 0.9283
190 ECE 0.9281
191 BR8 0.9279
192 ERH 0.9276
193 HSE 0.9276
194 GVH 0.9275
195 RSF 0.9275
196 XYP 0.9275
197 TCZ 0.9273
198 R8A 0.9271
199 MPI 0.9269
200 GOL 0.9269
201 SER 0.9266
202 MZ0 0.9263
203 BZI 0.9263
204 0R1 0.9263
205 ICC 0.9262
206 3MH 0.9262
207 B24 0.9260
208 OHG 0.9260
209 0CT 0.9257
210 3MT 0.9256
211 DGY 0.9252
212 IND 0.9252
213 AHR 0.9251
214 9CL 0.9250
215 LZ1 0.9249
216 6HQ 0.9249
217 3XX 0.9248
218 BZF 0.9246
219 HVQ 0.9244
220 DEN 0.9241
221 IDM 0.9238
222 NCM 0.9237
223 23A 0.9233
224 DBB 0.9228
225 A3B 0.9228
226 SMB 0.9226
227 RIB 0.9225
228 1MR 0.9223
229 RIP 0.9222
230 H76 0.9221
231 JZ1 0.9216
232 3PY 0.9215
233 ARA 0.9212
234 DCD 0.9207
235 CIZ 0.9204
236 Z6J 0.9202
237 1CB 0.9202
238 HPA 0.9197
239 ADE 0.9195
240 9HX 0.9193
241 BVG 0.9192
242 9DA 0.9188
243 7HP 0.9179
244 2RA 0.9178
245 ARB 0.9174
246 1PT 0.9174
247 MZY 0.9173
248 10L 0.9173
249 XYS 0.9172
250 PYR 0.9172
251 1AC 0.9170
252 OXL 0.9170
253 ITN 0.9170
254 39J 0.9170
255 OXM 0.9167
256 JZ9 0.9166
257 P3K 0.9165
258 F81 0.9162
259 7CZ 0.9161
260 6MP 0.9157
261 2A7 0.9152
262 0MK 0.9150
263 LXC 0.9146
264 OXD 0.9144
265 CRN 0.9144
266 FW5 0.9142
267 BTE 0.9139
268 S76 0.9139
269 1DW 0.9133
270 DTL 0.9132
271 OXZ 0.9130
272 THR 0.9129
273 3TR 0.9128
274 LER 0.9128
275 32O 0.9127
276 7WA 0.9127
277 GAG 0.9126
278 MR3 0.9125
279 DFB 0.9125
280 FYU 0.9125
281 0TR 0.9122
282 2EZ 0.9120
283 CP 0.9119
284 DSN 0.9118
285 TAR 0.9118
286 PAE 0.9118
287 PRI 0.9117
288 PCR 0.9117
289 AGK 0.9115
290 TFB 0.9115
291 OAA 0.9111
292 O7U 0.9108
293 ATQ 0.9108
294 DA1 0.9108
295 4CH 0.9107
296 ABA 0.9106
297 MZW 0.9106
298 R2B 0.9105
299 BP1 0.9105
300 25R 0.9105
301 HUI 0.9104
302 LG4 0.9103
303 1AB 0.9101
304 HDA 0.9101
305 270 0.9100
306 4XX 0.9100
307 ES4 0.9099
308 HQE 0.9096
309 1MZ 0.9096
310 PM6 0.9095
311 6SP 0.9095
312 HOW 0.9092
313 DAS 0.9092
314 AZF 0.9091
315 2MZ 0.9090
316 LMR 0.9090
317 2AI 0.9087
318 AMT 0.9082
319 4ZC 0.9082
320 PXY 0.9081
321 HMH 0.9080
322 ALO 0.9077
323 4JP 0.9076
324 3Z7 0.9074
325 FPN 0.9072
326 FUC 0.9071
327 PLQ 0.9070
328 P2D 0.9067
329 HMU 0.9067
330 FUF 0.9067
331 5KX 0.9061
332 TZZ 0.9058
333 ASN 0.9057
334 JAB 0.9057
335 GBD 0.9056
336 LDU 0.9055
337 03W 0.9054
338 4XR 0.9051
339 YTB 0.9048
340 4MZ 0.9047
341 4JN 0.9047
342 PRO 0.9046
343 GIF 0.9044
344 LAC 0.9043
345 NBZ 0.9042
346 3GR 0.9041
347 IOM 0.9041
348 DFU 0.9038
349 VAL 0.9037
350 ZZ3 0.9036
351 AUD 0.9034
352 BML 0.9034
353 MAK 0.9033
354 DCY 0.9033
355 EDG 0.9029
356 HY3 0.9028
357 ALA 0.9028
358 BEN 0.9026
359 R1X 0.9024
360 HV2 0.9024
361 JZ6 0.9021
362 45C 0.9019
363 2OP 0.9018
364 OXQ 0.9018
365 P92 0.9015
366 NEQ 0.9015
367 HX3 0.9014
368 51F 0.9012
369 DE2 0.9012
370 12M 0.9012
371 FUL 0.9011
372 2MH 0.9011
373 BP9 0.9009
374 AX7 0.9004
375 4JU 0.9002
376 BEZ 0.9001
377 SGL 0.8998
378 BAE 0.8998
379 MEU 0.8997
380 4HS 0.8995
381 DTU 0.8994
382 IOL 0.8994
383 KOJ 0.8993
384 SAL 0.8988
385 2MI 0.8987
386 8H8 0.8986
387 KIV 0.8985
388 PAF 0.8982
389 FPK 0.8981
390 150 0.8980
391 NCA 0.8977
392 FOA 0.8977
393 BDR 0.8977
394 ES3 0.8976
395 THE 0.8976
396 NMJ 0.8975
397 JIF 0.8975
398 C2N 0.8974
399 TZC 0.8973
400 6PC 0.8973
401 ZZT 0.8969
402 RP7 0.8968
403 9EW 0.8966
404 HGY 0.8964
405 PZA 0.8963
406 BAM 0.8962
407 VAH 0.8961
408 ABE 0.8958
409 T6C 0.8955
410 HZP 0.8952
411 JBN 0.8950
412 SS2 0.8949
413 BYZ 0.8947
414 CHT 0.8943
415 DAL 0.8943
416 98J 0.8943
417 R8S 0.8943
418 RUU 0.8941
419 5AC 0.8940
420 64K 0.8937
421 7MH 0.8933
422 2CQ 0.8933
423 CSS 0.8930
424 2PC 0.8929
425 GUN 0.8929
426 1SP 0.8927
427 NSP 0.8927
428 DTT 0.8927
429 TH7 0.8925
430 TC7 0.8924
431 TP5 0.8924
432 AZA 0.8922
433 3NT 0.8921
434 1WG 0.8920
435 SS1 0.8918
436 IMR 0.8917
437 ALQ 0.8916
438 FUB 0.8915
439 NIO 0.8914
440 2HA 0.8912
441 SMV 0.8911
442 VGL 0.8909
443 AKB 0.8908
444 9TY 0.8908
445 PYC 0.8907
446 192 0.8906
447 NAK 0.8906
448 PBE 0.8905
449 SVN 0.8904
450 9X7 0.8903
451 BNZ 0.8903
452 60P 0.8902
453 BZX 0.8902
454 24B 0.8901
455 40E 0.8901
456 6AP 0.8899
457 A2F 0.8898
458 G2F 0.8897
459 0PY 0.8897
460 CFP 0.8896
461 NOJ 0.8896
462 JZ7 0.8894
463 LRH 0.8894
464 PCA 0.8892
465 1XN 0.8891
466 F60 0.8891
467 AAE 0.8891
468 GAB 0.8890
469 B20 0.8890
470 AZG 0.8890
471 P1R 0.8889
472 ILE 0.8888
473 35C 0.8887
474 53C 0.8886
475 F05 0.8886
476 RSO 0.8886
477 PHZ 0.8884
478 9DG 0.8883
479 UNU 0.8883
480 AC0 0.8883
481 KPL 0.8882
482 QUZ 0.8880
483 TLA 0.8880
484 Q88 0.8879
485 4SV 0.8879
486 290 0.8877
487 DPR 0.8874
488 NPY 0.8873
489 FCA 0.8873
490 XUL 0.8873
491 9YL 0.8872
492 QSC 0.8870
493 XAN 0.8868
494 YCP 0.8866
495 F4Z 0.8866
496 TMH 0.8865
497 JZ5 0.8864
498 IGA 0.8863
499 HYP 0.8861
500 6M9 0.8860
501 JKE 0.8858
502 MRZ 0.8858
503 3OH 0.8857
504 GXV 0.8857
505 3SK 0.8857
506 4VP 0.8857
507 34V 0.8856
508 3U4 0.8855
509 HLT 0.8854
510 ABV 0.8851
511 3ZS 0.8851
512 BUO 0.8851
513 BE2 0.8850
514 PRS 0.8850
515 ES0 0.8850
516 0RW 0.8848
517 XM0 0.8847
518 CWM 0.8844
519 IFL 0.8843
520 NVA 0.8842
521 PYZ 0.8839
522 DX4 0.8839
523 BOA 0.8835
524 TF4 0.8834
525 6LW 0.8832
526 1DU 0.8829
527 TZE 0.8828
528 GLC 0.8828
529 NTN 0.8826
530 PBC 0.8826
531 6M4 0.8825
532 5Y9 0.8821
533 VNJ 0.8821
534 URQ 0.8820
535 3AB 0.8819
536 141 0.8819
537 TBP 0.8819
538 HCS 0.8818
539 717 0.8817
540 BGC 0.8816
541 M58 0.8814
542 5HN 0.8814
543 1P3 0.8813
544 3M0 0.8810
545 F0J 0.8809
546 14J 0.8808
547 3HB 0.8808
548 1XM 0.8808
549 BCP 0.8808
550 HBA 0.8807
551 NIS 0.8804
552 OVV 0.8803
553 HH5 0.8799
554 1WD 0.8799
555 D2P 0.8798
556 PYM 0.8798
557 3HL 0.8798
558 6AI 0.8797
559 2CK 0.8794
560 L3Q 0.8794
561 ASO 0.8794
562 7WG 0.8793
563 DBH 0.8792
564 LCN 0.8791
565 DGJ 0.8790
566 4PW 0.8789
567 ES6 0.8788
568 3F0 0.8783
569 SSN 0.8782
570 ARW 0.8780
571 273 0.8777
572 XLS 0.8776
573 IP0 0.8776
574 DIG 0.8774
575 UY7 0.8773
576 BNS 0.8773
577 HBR 0.8772
578 OXC 0.8772
579 3DM 0.8771
580 3BZ 0.8770
581 271 0.8767
582 FLA 0.8767
583 3HA 0.8767
584 3MA 0.8765
585 FBA 0.8764
586 IHG 0.8762
587 WCE 0.8761
588 261 0.8760
589 4JL 0.8760
590 GOO 0.8760
591 5IQ 0.8760
592 HQY 0.8759
593 ROR 0.8758
594 N5J 0.8757
595 HY1 0.8756
596 3OC 0.8756
597 3HR 0.8755
598 MMU 0.8755
599 IVA 0.8750
600 WTZ 0.8750
601 FAN 0.8747
602 5SG 0.8746
603 HSM 0.8745
604 8EZ 0.8742
605 5Q0 0.8742
606 82I 0.8741
607 BAL 0.8741
608 BU4 0.8739
609 ES1 0.8738
610 DMJ 0.8737
611 JFD 0.8737
612 NXA 0.8736
613 ORO 0.8735
614 C21 0.8733
615 C2B 0.8730
616 1LQ 0.8730
617 BRT 0.8729
618 8GC 0.8729
619 CXF 0.8728
620 IF7 0.8727
621 5RG 0.8727
622 PEL 0.8726
623 DIE 0.8726
624 OEM 0.8724
625 7B4 0.8722
626 4HM 0.8720
627 7WV 0.8719
628 4CS 0.8718
629 DOR 0.8716
630 HIO 0.8716
631 HBS 0.8713
632 1NP 0.8713
633 FP1 0.8712
634 1LN 0.8712
635 3BB 0.8711
636 JPZ 0.8710
637 3V4 0.8710
638 5MB 0.8709
639 1SQ 0.8708
640 5M0 0.8707
641 14O 0.8707
642 PEA 0.8707
643 CEE 0.8705
644 5H1 0.8704
645 54G 0.8703
646 GTQ 0.8702
647 260 0.8702
648 AOA 0.8700
649 2K4 0.8700
650 5MP 0.8700
651 D1X 0.8700
652 7HQ 0.8699
653 QFH 0.8698
654 5NU 0.8697
655 NOY 0.8693
656 0CU 0.8691
657 24W 0.8691
658 SEJ 0.8690
659 4YS 0.8688
660 5MI 0.8688
661 MSN 0.8686
662 DCL 0.8680
663 ES9 0.8680
664 SIN 0.8680
665 7W4 0.8679
666 4SD 0.8678
667 MAN 0.8678
668 JBE 0.8677
669 BUA 0.8674
670 MAE 0.8673
671 AW5 0.8672
672 34D 0.8669
673 23B 0.8669
674 ADZ 0.8665
675 FCN 0.8665
676 9TZ 0.8664
677 6CS 0.8663
678 IT2 0.8660
679 FRU 0.8653
680 11S 0.8651
681 FK1 0.8650
682 SNE 0.8649
683 SAR 0.8649
684 2LP 0.8649
685 MNM 0.8644
686 8NY 0.8640
687 T2C 0.8637
688 IQ0 0.8636
689 KYD 0.8632
690 N8P 0.8631
691 3SY 0.8630
692 SR1 0.8623
693 G4D 0.8621
694 I3A 0.8614
695 G6D 0.8602
696 JZ4 0.8599
697 DPF 0.8591
698 AC5 0.8589
699 RAM 0.8588
700 URP 0.8585
701 LYL 0.8584
702 FQI 0.8583
703 GAL 0.8580
704 FX1 0.8578
705 AS3 0.8577
706 N7P 0.8575
707 BUQ 0.8552
708 BMD 0.8550
709 FCB 0.8550
710 PZI 0.8541
711 GLA 0.8540
712 SC2 0.8540
713 M1E 0.8538
714 HHA 0.8520
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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