Receptor
PDB id Resolution Class Description Source Keywords
2RBW 1.5 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE W191G IN COMPLEX WITH 1,2-DIMETHYL-1 5-AMINE 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
275 X:2001;
 Valid;
 none;
 submit data
123.176 C7 H11 N2 Cc1cc...
HEM X:400;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
PO4 X:1001;
X:1003;
X:1004;
X:1005;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
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: 275; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 275 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 275; Similar ligands found: 909
No: Ligand Similarity coefficient
1 ICP 1.0000
2 1MC 1.0000
3 TH0 1.0000
4 URF 1.0000
5 TDR 1.0000
6 43M 1.0000
7 2MP 1.0000
8 34A 1.0000
9 XBZ 0.9997
10 4ZE 0.9996
11 XYD 0.9994
12 4HO 0.9994
13 2YU 0.9990
14 5UC 0.9983
15 PYD 0.9982
16 JZ2 0.9968
17 4JO 0.9965
18 TLD 0.9929
19 LXC 0.9907
20 XYP 0.9896
21 IUR 0.9884
22 4XR 0.9772
23 AHR 0.9765
24 FPY 0.9746
25 RCO 0.9729
26 IDH 0.9726
27 OXE 0.9725
28 4JU 0.9721
29 URA 0.9714
30 XYS 0.9710
31 CRS 0.9704
32 LG3 0.9702
33 284 0.9693
34 3CH 0.9692
35 CYT 0.9691
36 1PT 0.9689
37 26D 0.9688
38 LG5 0.9687
39 8H8 0.9674
40 NSP 0.9669
41 RIP 0.9662
42 2CQ 0.9657
43 PXY 0.9647
44 150 0.9643
45 PCR 0.9639
46 FYU 0.9638
47 25R 0.9638
48 2MH 0.9636
49 RSF 0.9628
50 HQE 0.9627
51 BVF 0.9625
52 8GF 0.9623
53 1DW 0.9613
54 0MK 0.9611
55 PLQ 0.9598
56 LG4 0.9596
57 FPN 0.9595
58 1WG 0.9585
59 4JN 0.9578
60 JIF 0.9577
61 TH7 0.9575
62 KOJ 0.9575
63 45C 0.9572
64 HX3 0.9571
65 DA1 0.9570
66 DEN 0.9569
67 7MH 0.9566
68 DUC 0.9565
69 ARB 0.9561
70 4CH 0.9559
71 2CH 0.9558
72 BZF 0.9554
73 ADE 0.9554
74 3ZQ 0.9553
75 HTS 0.9550
76 BZI 0.9545
77 YAN 0.9539
78 GVH 0.9538
79 IND 0.9537
80 F4Z 0.9536
81 FPI 0.9535
82 M3T 0.9534
83 CIG 0.9533
84 TC7 0.9533
85 B3R 0.9527
86 938 0.9526
87 JFD 0.9526
88 4HS 0.9525
89 HPA 0.9523
90 4JP 0.9523
91 4XX 0.9523
92 10L 0.9522
93 CYH 0.9519
94 6X8 0.9517
95 HGQ 0.9515
96 BZX 0.9511
97 4H2 0.9509
98 JZ3 0.9509
99 0R1 0.9508
100 BML 0.9505
101 6MP 0.9505
102 JAE 0.9504
103 0CT 0.9504
104 HEW 0.9503
105 J1Z 0.9503
106 25W 0.9501
107 7WA 0.9498
108 LZ1 0.9492
109 MPI 0.9491
110 AMC 0.9490
111 MCT 0.9489
112 H3M 0.9487
113 0R0 0.9485
114 BP1 0.9483
115 7HP 0.9482
116 PM6 0.9478
117 285 0.9475
118 ES4 0.9474
119 WBU 0.9474
120 3XX 0.9474
121 HMU 0.9470
122 CAQ 0.9468
123 HBX 0.9468
124 40O 0.9460
125 GLC 0.9456
126 6AI 0.9455
127 CXL 0.9454
128 DFB 0.9452
129 270 0.9451
130 HMH 0.9450
131 5H1 0.9447
132 HPY 0.9447
133 HAI 0.9443
134 AX7 0.9442
135 PY7 0.9441
136 ECE 0.9439
137 BTE 0.9437
138 IDM 0.9432
139 3MC 0.9432
140 F05 0.9429
141 ABN 0.9423
142 M1A 0.9422
143 282 0.9419
144 Q88 0.9418
145 IOL 0.9415
146 3Z7 0.9415
147 14O 0.9413
148 SAL 0.9412
149 YCP 0.9411
150 ABE 0.9411
151 4CL 0.9411
152 HHQ 0.9409
153 RIB 0.9406
154 L89 0.9406
155 8LG 0.9406
156 9EW 0.9406
157 MWM 0.9402
158 ES0 0.9401
159 HLR 0.9400
160 JBE 0.9400
161 3FA 0.9400
162 PYG 0.9396
163 0TR 0.9396
164 TMZ 0.9394
165 MBD 0.9393
166 ABV 0.9391
167 92Z 0.9390
168 HIU 0.9389
169 ICC 0.9389
170 NK 0.9389
171 F60 0.9389
172 OXQ 0.9388
173 5MI 0.9387
174 QUZ 0.9385
175 2K4 0.9385
176 V1L 0.9383
177 MLT 0.9380
178 6M9 0.9379
179 CWM 0.9378
180 IPH 0.9377
181 BEZ 0.9376
182 G6D 0.9376
183 4ZC 0.9375
184 NPY 0.9373
185 1AN 0.9372
186 DUB 0.9372
187 FP2 0.9370
188 A1U 0.9369
189 MZG 0.9368
190 HBA 0.9368
191 7W4 0.9367
192 R8A 0.9366
193 P92 0.9362
194 2MI 0.9361
195 BEN 0.9361
196 XQ0 0.9358
197 SVN 0.9357
198 C2B 0.9356
199 4JJ 0.9355
200 5MB 0.9355
201 5JC 0.9354
202 BEW 0.9354
203 2AF 0.9353
204 6MH 0.9351
205 64K 0.9351
206 6M4 0.9351
207 6PC 0.9350
208 11S 0.9348
209 NOJ 0.9347
210 MWJ 0.9346
211 BAM 0.9344
212 H4N 0.9342
213 FLM 0.9340
214 76X 0.9338
215 27Y 0.9336
216 ES9 0.9335
217 2CM 0.9332
218 YHO 0.9332
219 QWN 0.9329
220 BE2 0.9328
221 NCA 0.9327
222 PYF 0.9327
223 2MY 0.9326
224 FUF 0.9325
225 XM0 0.9324
226 KIV 0.9323
227 5WV 0.9322
228 GBD 0.9322
229 NBZ 0.9321
230 3AP 0.9321
231 67N 0.9315
232 ES6 0.9315
233 2AP 0.9314
234 2C9 0.9313
235 WOT 0.9312
236 FFP 0.9311
237 TM7 0.9310
238 HT4 0.9308
239 4AP 0.9308
240 3M0 0.9307
241 OAA 0.9305
242 BR9 0.9305
243 5NU 0.9304
244 LMR 0.9304
245 XXR 0.9304
246 5Q0 0.9303
247 24W 0.9302
248 GCS 0.9300
249 A2Q 0.9300
250 4JL 0.9300
251 5AN 0.9299
252 C2A 0.9299
253 TM4 0.9297
254 AX2 0.9297
255 13X 0.9296
256 HVK 0.9296
257 2IM 0.9295
258 FUL 0.9294
259 1NP 0.9293
260 3U4 0.9293
261 JZ0 0.9289
262 IT2 0.9288
263 8NY 0.9288
264 1LM 0.9287
265 HRZ 0.9287
266 DTL 0.9286
267 HQY 0.9284
268 4VP 0.9281
269 6HQ 0.9279
270 DMD 0.9278
271 3F0 0.9277
272 GMN 0.9277
273 G2F 0.9275
274 HY3 0.9275
275 BR8 0.9272
276 9X7 0.9272
277 SOE 0.9270
278 9PO 0.9270
279 NIO 0.9269
280 COU 0.9267
281 ISN 0.9267
282 7CZ 0.9265
283 NMJ 0.9264
284 MAK 0.9264
285 3AY 0.9263
286 ES1 0.9262
287 93Q 0.9261
288 JZ9 0.9259
289 4SV 0.9258
290 LGA 0.9258
291 24B 0.9256
292 PHB 0.9255
293 V55 0.9254
294 2D0 0.9252
295 F5B 0.9250
296 6UA 0.9245
297 GUN 0.9244
298 B53 0.9244
299 03V 0.9242
300 1MR 0.9242
301 R2B 0.9240
302 AZA 0.9239
303 286 0.9236
304 QXW 0.9235
305 NBE 0.9234
306 OHG 0.9234
307 P3K 0.9234
308 FUC 0.9234
309 5ZE 0.9233
310 PYC 0.9231
311 IFL 0.9231
312 2A9 0.9231
313 PZA 0.9229
314 RM4 0.9229
315 5RG 0.9228
316 2AC 0.9227
317 DMG 0.9226
318 5MH 0.9226
319 GAG 0.9226
320 VAL 0.9225
321 9DG 0.9224
322 2AQ 0.9223
323 4FS 0.9223
324 XAN 0.9220
325 WDL 0.9218
326 5CU 0.9218
327 QOS 0.9218
328 9HX 0.9217
329 VGL 0.9215
330 JAB 0.9214
331 APY 0.9213
332 4CS 0.9213
333 2CK 0.9212
334 EXO 0.9210
335 H42 0.9208
336 JZ1 0.9208
337 R8S 0.9207
338 ARA 0.9206
339 JB5 0.9203
340 FOA 0.9203
341 ZZT 0.9201
342 3DM 0.9200
343 3NT 0.9200
344 RAM 0.9200
345 DSN 0.9200
346 DOB 0.9199
347 8GC 0.9194
348 YTB 0.9192
349 6AP 0.9192
350 9DA 0.9192
351 24T 0.9192
352 UNU 0.9192
353 2DR 0.9190
354 PYJ 0.9189
355 7EX 0.9188
356 TMT 0.9187
357 HH5 0.9186
358 A2F 0.9184
359 FBA 0.9182
360 141 0.9182
361 NOY 0.9181
362 E60 0.9181
363 H8N 0.9181
364 GTQ 0.9180
365 3MH 0.9180
366 RM1 0.9179
367 TP5 0.9178
368 I3A 0.9177
369 23W 0.9176
370 TZC 0.9176
371 47J 0.9175
372 DGY 0.9174
373 RSO 0.9174
374 MZ0 0.9174
375 3RK 0.9173
376 IFM 0.9173
377 DX4 0.9173
378 BE7 0.9173
379 ES5 0.9170
380 BOA 0.9170
381 BCP 0.9169
382 JBN 0.9168
383 L3Q 0.9168
384 G3F 0.9167
385 RNS 0.9163
386 MNM 0.9163
387 MB3 0.9163
388 IGA 0.9161
389 XBT 0.9159
390 5M0 0.9155
391 94N 0.9155
392 3HM 0.9154
393 ADZ 0.9154
394 JKE 0.9153
395 INO 0.9152
396 PRO 0.9151
397 KSW 0.9151
398 2PC 0.9151
399 DXX 0.9151
400 M58 0.9151
401 KKN 0.9150
402 CFP 0.9147
403 6GU 0.9147
404 F0J 0.9146
405 DTI 0.9146
406 NNO 0.9146
407 2ZX 0.9146
408 BHA 0.9145
409 SER 0.9145
410 OCH 0.9144
411 ERH 0.9144
412 MLI 0.9143
413 3SK 0.9143
414 1DH 0.9142
415 5AC 0.9141
416 NPO 0.9141
417 JLZ 0.9140
418 FDB 0.9140
419 DTU 0.9139
420 BGC 0.9137
421 7HQ 0.9137
422 ES7 0.9135
423 URQ 0.9133
424 23A 0.9132
425 717 0.9132
426 MLA 0.9129
427 Y8I 0.9125
428 SYN 0.9125
429 3PY 0.9124
430 PBC 0.9124
431 7VJ 0.9123
432 IF7 0.9121
433 FCA 0.9120
434 1WD 0.9119
435 SWD 0.9119
436 1AB 0.9117
437 ADK 0.9117
438 3CE 0.9115
439 MBN 0.9115
440 42A 0.9113
441 2HO 0.9113
442 PIH 0.9112
443 6CS 0.9111
444 1DU 0.9111
445 NTN 0.9110
446 25T 0.9109
447 FAN 0.9107
448 CRN 0.9105
449 ET2 0.9105
450 EDG 0.9105
451 C5J 0.9104
452 CIZ 0.9104
453 QSC 0.9103
454 HSE 0.9103
455 CEJ 0.9102
456 280 0.9099
457 ISE 0.9098
458 GAL 0.9097
459 12M 0.9095
460 OVV 0.9094
461 LZM 0.9093
462 GOO 0.9092
463 9TW 0.9092
464 54G 0.9091
465 273 0.9091
466 AC0 0.9090
467 SS1 0.9089
468 7WV 0.9088
469 82I 0.9088
470 290 0.9088
471 NEQ 0.9087
472 VGD 0.9086
473 DBH 0.9085
474 9TY 0.9085
475 URC 0.9084
476 8S0 0.9083
477 0P6 0.9080
478 PAF 0.9080
479 WCE 0.9075
480 F81 0.9074
481 3MA 0.9072
482 URP 0.9071
483 N5J 0.9071
484 5CL 0.9070
485 265 0.9069
486 93B 0.9069
487 FK1 0.9068
488 0CU 0.9067
489 MMZ 0.9066
490 0RW 0.9065
491 3BZ 0.9065
492 5SG 0.9064
493 ASP 0.9064
494 Z82 0.9064
495 1XX 0.9063
496 6F0 0.9062
497 DFU 0.9062
498 261 0.9061
499 9TZ 0.9060
500 14J 0.9059
501 IPB 0.9058
502 5IQ 0.9058
503 9MG 0.9056
504 HYN 0.9055
505 5B1 0.9055
506 YH7 0.9054
507 GXE 0.9054
508 LDU 0.9051
509 INS 0.9051
510 BZ3 0.9050
511 4JM 0.9050
512 5OB 0.9050
513 C21 0.9049
514 86J 0.9049
515 MAE 0.9047
516 NIZ 0.9047
517 3DO 0.9046
518 B57 0.9045
519 M2H 0.9044
520 BRT 0.9043
521 TCZ 0.9042
522 PCA 0.9042
523 FBB 0.9039
524 RUU 0.9037
525 GRE 0.9037
526 L60 0.9034
527 H76 0.9033
528 AZG 0.9032
529 2ZV 0.9031
530 ASN 0.9031
531 SEJ 0.9030
532 FP1 0.9030
533 K2T 0.9027
534 75K 0.9027
535 5MK 0.9026
536 8TX 0.9025
537 6M1 0.9024
538 278 0.9022
539 SX1 0.9022
540 RP7 0.9022
541 60P 0.9021
542 ASO 0.9020
543 JFJ 0.9019
544 PZI 0.9018
545 2KT 0.9016
546 XQG 0.9016
547 5JQ 0.9015
548 8CM 0.9014
549 YIO 0.9011
550 KT7 0.9010
551 XAZ 0.9010
552 X6X 0.9006
553 8CL 0.9006
554 KJY 0.9006
555 SMV 0.9005
556 LRH 0.9002
557 TFB 0.9002
558 7B4 0.9001
559 GXY 0.9000
560 JBK 0.8998
561 1Y6 0.8997
562 260 0.8997
563 ALL 0.8993
564 A7W 0.8992
565 35C 0.8991
566 FA0 0.8991
567 4XH 0.8989
568 Z6J 0.8989
569 HH8 0.8988
570 FOT 0.8986
571 BP9 0.8985
572 WOO 0.8984
573 XIY 0.8983
574 2FG 0.8982
575 EQT 0.8981
576 MAN 0.8979
577 LCN 0.8979
578 MZW 0.8978
579 4MA 0.8976
580 ZBT 0.8973
581 BVC 0.8972
582 GAF 0.8972
583 PA1 0.8970
584 HBD 0.8970
585 ISZ 0.8970
586 FQI 0.8969
587 PEA 0.8968
588 T6C 0.8967
589 PAB 0.8967
590 ALO 0.8967
591 FRU 0.8966
592 M1E 0.8963
593 1XM 0.8963
594 8WO 0.8963
595 1XN 0.8962
596 MR1 0.8962
597 VOH 0.8961
598 5JL 0.8960
599 ICF 0.8959
600 TTO 0.8959
601 174 0.8959
602 MEW 0.8957
603 SWA 0.8955
604 HJP 0.8954
605 ITN 0.8954
606 BSX 0.8953
607 LGC 0.8952
608 XRG 0.8951
609 KG7 0.8951
610 3HA 0.8950
611 GAB 0.8948
612 UGC 0.8948
613 LER 0.8947
614 QX2 0.8946
615 3AB 0.8945
616 PE0 0.8945
617 KYD 0.8943
618 DIE 0.8942
619 5HN 0.8938
620 GLA 0.8937
621 1P7 0.8936
622 THR 0.8936
623 FLA 0.8936
624 4AA 0.8935
625 M1Q 0.8934
626 VNJ 0.8933
627 BHO 0.8932
628 3OC 0.8932
629 QWW 0.8931
630 1GN 0.8931
631 3HB 0.8928
632 4M0 0.8928
633 DMI 0.8927
634 R1X 0.8924
635 SS2 0.8923
636 ORO 0.8923
637 4JT 0.8923
638 O7U 0.8922
639 1P8 0.8922
640 JZ5 0.8921
641 C2U 0.8920
642 1LQ 0.8919
643 XIX 0.8919
644 O72 0.8917
645 2XX 0.8917
646 3ID 0.8916
647 PBZ 0.8916
648 AZ8 0.8914
649 FCB 0.8912
650 J9W 0.8912
651 Q24 0.8912
652 HVQ 0.8910
653 1SQ 0.8908
654 OXZ 0.8908
655 1P3 0.8907
656 BMA 0.8907
657 F9Y 0.8906
658 PFB 0.8905
659 HHN 0.8904
660 P2D 0.8903
661 MO8 0.8902
662 HFB 0.8902
663 826 0.8901
664 DIN 0.8900
665 OXC 0.8900
666 JPZ 0.8898
667 BVG 0.8897
668 KPL 0.8896
669 PRS 0.8896
670 SW7 0.8895
671 39A 0.8894
672 CGB 0.8890
673 IV2 0.8888
674 MSN 0.8888
675 DGJ 0.8885
676 4YS 0.8885
677 32X 0.8884
678 5VM 0.8884
679 SRT 0.8884
680 DOR 0.8884
681 UY7 0.8884
682 IMR 0.8883
683 P72 0.8883
684 CLW 0.8882
685 DIU 0.8882
686 IP0 0.8881
687 DYA 0.8881
688 AAE 0.8877
689 IJZ 0.8876
690 5XC 0.8875
691 1LN 0.8874
692 KJH 0.8871
693 42J 0.8871
694 5RN 0.8870
695 4HC 0.8869
696 GLU 0.8869
697 SKA 0.8867
698 M5K 0.8867
699 AQO 0.8866
700 JBH 0.8864
701 VNL 0.8863
702 2HQ 0.8862
703 HIO 0.8862
704 12Q 0.8860
705 3SL 0.8858
706 53C 0.8857
707 AZF 0.8857
708 HQT 0.8853
709 4FA 0.8852
710 DRL 0.8852
711 7W1 0.8852
712 3WA 0.8852
713 KBG 0.8850
714 FBM 0.8847
715 2BG 0.8846
716 DMJ 0.8845
717 MWP 0.8845
718 36R 0.8845
719 EA1 0.8843
720 AJ2 0.8837
721 UNC 0.8837
722 MFB 0.8836
723 SHG 0.8835
724 DQN 0.8832
725 AC6 0.8831
726 4Z4 0.8830
727 JBQ 0.8828
728 MRY 0.8827
729 2LP 0.8827
730 ES2 0.8825
731 D1X 0.8824
732 5QX 0.8823
733 DHQ 0.8821
734 BNS 0.8820
735 CTL 0.8820
736 BCF 0.8819
737 DAS 0.8817
738 HGW 0.8817
739 2A7 0.8816
740 SIN 0.8813
741 ILE 0.8812
742 M2K 0.8812
743 TAR 0.8810
744 GYE 0.8810
745 B24 0.8810
746 HSM 0.8810
747 6LW 0.8809
748 BBF 0.8807
749 TTL 0.8807
750 TEO 0.8806
751 HZQ 0.8806
752 SHA 0.8806
753 ICO 0.8804
754 95Z 0.8803
755 PCI 0.8801
756 M0Q 0.8801
757 RB5 0.8801
758 TLA 0.8799
759 MQN 0.8799
760 PXL 0.8799
761 4AX 0.8798
762 DPR 0.8797
763 AGK 0.8794
764 F3B 0.8794
765 PZM 0.8794
766 G5V 0.8793
767 1M2 0.8792
768 JA8 0.8792
769 NDM 0.8790
770 AFR 0.8785
771 8ZE 0.8784
772 9CL 0.8781
773 BDF 0.8781
774 KIB 0.8780
775 IBF 0.8779
776 FUB 0.8778
777 MRZ 0.8778
778 TBP 0.8776
779 5RO 0.8776
780 PBE 0.8776
781 173 0.8775
782 5QY 0.8774
783 5WX 0.8774
784 SYV 0.8773
785 GIO 0.8772
786 3PF 0.8767
787 3MB 0.8765
788 HHA 0.8764
789 FBV 0.8763
790 DAB 0.8763
791 6RQ 0.8762
792 A65 0.8762
793 2EC 0.8762
794 4P5 0.8762
795 AUD 0.8761
796 4YO 0.8761
797 E7Z 0.8760
798 I1N 0.8760
799 149 0.8759
800 UEG 0.8758
801 G3E 0.8755
802 2RA 0.8754
803 4JQ 0.8753
804 Q6T 0.8752
805 GIF 0.8752
806 2H5 0.8752
807 B55 0.8748
808 BAE 0.8746
809 ZZ3 0.8745
810 1DQ 0.8744
811 LT2 0.8739
812 1DV 0.8739
813 NVI 0.8738
814 PKU 0.8737
815 TIU 0.8736
816 SJ5 0.8736
817 0TU 0.8734
818 S76 0.8730
819 4HM 0.8730
820 FB1 0.8730
821 AMT 0.8729
822 XUL 0.8725
823 DBX 0.8716
824 KJU 0.8715
825 GLF 0.8710
826 7VS 0.8709
827 TEP 0.8708
828 MUA 0.8702
829 M0W 0.8702
830 HYP 0.8701
831 SE2 0.8699
832 HXX 0.8698
833 EYK 0.8697
834 BDP 0.8696
835 R8V 0.8694
836 4NC 0.8693
837 4XV 0.8689
838 T2C 0.8689
839 QBK 0.8686
840 OK7 0.8685
841 M6N 0.8682
842 0W8 0.8679
843 OXD 0.8679
844 7NI 0.8678
845 ABA 0.8678
846 PQ0 0.8677
847 RHU 0.8677
848 PRF 0.8676
849 D48 0.8675
850 PHU 0.8675
851 4XS 0.8673
852 BTY 0.8673
853 2MN 0.8672
854 0HO 0.8671
855 CFI 0.8671
856 I2M 0.8669
857 2AL 0.8666
858 37T 0.8665
859 948 0.8660
860 HY1 0.8659
861 FB2 0.8653
862 8IG 0.8652
863 P9P 0.8652
864 AZ9 0.8650
865 XYL 0.8649
866 EUG 0.8645
867 PMB 0.8645
868 J5I 0.8644
869 XCZ 0.8641
870 DHB 0.8641
871 K5W 0.8639
872 N2I 0.8638
873 B60 0.8632
874 HLZ 0.8624
875 5GU 0.8622
876 680 0.8622
877 92K 0.8621
878 PYQ 0.8615
879 BEA 0.8615
880 AKH 0.8615
881 1F1 0.8615
882 OVM 0.8611
883 CWS 0.8609
884 KDV 0.8607
885 2AK 0.8606
886 OW4 0.8597
887 MYJ 0.8595
888 NDH 0.8593
889 KBB 0.8584
890 KUF 0.8581
891 MAQ 0.8581
892 MRW 0.8575
893 YSO 0.8567
894 0HN 0.8565
895 MXN 0.8563
896 QSB 0.8562
897 12B 0.8562
898 FHB 0.8561
899 GLT 0.8561
900 DBJ 0.8556
901 4ZA 0.8555
902 OVP 0.8554
903 N8Y 0.8552
904 4A3 0.8552
905 PBR 0.8549
906 DNF 0.8541
907 K17 0.8521
908 APZ 0.8518
909 TBS 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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