Receptor
PDB id Resolution Class Description Source Keywords
5U5Z 1.26 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.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7VP A:302;
 Valid;
 none;
 Kd = 3472 uM
158.2 C10 H10 N2 Cc1c[...
HEM A:301;
 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: 7VP; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 7VP 1 1
2 G14 0.488372 0.645161
3 PIY 0.425 0.952381
Similar Ligands (3D)
Ligand no: 1; Ligand: 7VP; Similar ligands found: 899
No: Ligand Similarity coefficient
1 IWT 1.0000
2 J9N 1.0000
3 HX4 0.9986
4 BNL 0.9777
5 M3H 0.9764
6 TT4 0.9746
7 0NX 0.9737
8 PIM 0.9737
9 0BP 0.9730
10 MPV 0.9687
11 XDK 0.9657
12 L22 0.9629
13 PPY 0.9628
14 92G 0.9627
15 GVG 0.9623
16 2F6 0.9620
17 D3G 0.9607
18 JF6 0.9590
19 4PN 0.9587
20 1A7 0.9586
21 MSR 0.9585
22 SNU 0.9573
23 4V2 0.9570
24 NCT 0.9562
25 795 0.9561
26 AOT 0.9556
27 CK2 0.9551
28 R20 0.9544
29 CH9 0.9540
30 F4E 0.9533
31 HQJ 0.9529
32 CPZ 0.9524
33 ESP 0.9522
34 PO6 0.9520
35 M45 0.9517
36 36Y 0.9514
37 PJW 0.9498
38 J9Q 0.9496
39 61M 0.9489
40 A5E 0.9479
41 BZ2 0.9476
42 52C 0.9466
43 N2Z 0.9466
44 ESX 0.9464
45 492 0.9462
46 46P 0.9460
47 TZF 0.9459
48 HNH 0.9445
49 XIZ 0.9444
50 HNL 0.9435
51 K34 0.9427
52 N9J 0.9422
53 ISZ 0.9406
54 4P5 0.9403
55 L99 0.9396
56 9FL 0.9396
57 L5V 0.9394
58 1L5 0.9393
59 JRB 0.9384
60 PH3 0.9384
61 BHO 0.9382
62 4LV 0.9378
63 50C 0.9366
64 ZZA 0.9365
65 DE5 0.9361
66 KTJ 0.9359
67 CFI 0.9352
68 4JQ 0.9349
69 NFA 0.9344
70 PHE 0.9343
71 4WL 0.9341
72 NIZ 0.9341
73 HIC 0.9338
74 L03 0.9335
75 EN1 0.9330
76 XIY 0.9330
77 HFA 0.9329
78 D2G 0.9328
79 N2I 0.9326
80 ENO 0.9324
81 ICB 0.9323
82 6FZ 0.9320
83 I1E 0.9320
84 BPY 0.9319
85 OTR 0.9317
86 LNR 0.9306
87 4LW 0.9305
88 FBM 0.9305
89 FK8 0.9303
90 TIH 0.9300
91 BZJ 0.9296
92 GVY 0.9294
93 HIS 0.9290
94 4ZA 0.9289
95 1WC 0.9288
96 RUY 0.9285
97 K7M 0.9285
98 GO2 0.9283
99 0HO 0.9282
100 173 0.9281
101 L13 0.9281
102 J6W 0.9280
103 A29 0.9277
104 N3W 0.9276
105 3ZB 0.9275
106 0HN 0.9274
107 F4K 0.9273
108 4YO 0.9271
109 1IT 0.9270
110 ABI 0.9270
111 6FB 0.9268
112 3A9 0.9265
113 TCA 0.9262
114 JAW 0.9261
115 ALE 0.9259
116 XDE 0.9259
117 T2D 0.9258
118 9CA 0.9257
119 1F1 0.9256
120 TYL 0.9254
121 HHI 0.9254
122 HDH 0.9252
123 6NT 0.9249
124 H4E 0.9248
125 2ZM 0.9248
126 OGA 0.9248
127 AKG 0.9243
128 6TZ 0.9243
129 4BY 0.9238
130 FHC 0.9237
131 CK1 0.9237
132 4Z3 0.9236
133 C1M 0.9234
134 BP7 0.9233
135 97T 0.9230
136 DHI 0.9229
137 HNK 0.9229
138 TPA 0.9223
139 F9P 0.9222
140 PNZ 0.9221
141 1M2 0.9221
142 BZE 0.9221
143 MQN 0.9220
144 AN3 0.9220
145 URO 0.9218
146 3PF 0.9217
147 PRA 0.9216
148 A9P 0.9213
149 5VL 0.9213
150 HL4 0.9208
151 6SD 0.9207
152 2BG 0.9207
153 ESI 0.9205
154 3NY 0.9205
155 7OD 0.9205
156 7O4 0.9204
157 PUE 0.9204
158 UNJ 0.9204
159 8ZE 0.9201
160 363 0.9200
161 36E 0.9199
162 8OZ 0.9197
163 KTW 0.9197
164 ANN 0.9194
165 069 0.9193
166 3YP 0.9193
167 N1E 0.9191
168 LQ2 0.9190
169 HCI 0.9190
170 2HC 0.9190
171 DPN 0.9189
172 X0U 0.9189
173 TMG 0.9189
174 S2G 0.9189
175 GJZ 0.9188
176 7MU 0.9187
177 HXY 0.9185
178 0TU 0.9180
179 FZM 0.9180
180 1XA 0.9178
181 4XF 0.9176
182 PHU 0.9174
183 15E 0.9173
184 DIR 0.9172
185 KW8 0.9171
186 TYR 0.9167
187 4BL 0.9166
188 BQ2 0.9164
189 15N 0.9164
190 5QY 0.9163
191 3QV 0.9160
192 5GU 0.9160
193 5WZ 0.9160
194 S2P 0.9160
195 5XC 0.9159
196 56D 0.9159
197 5LA 0.9157
198 3VQ 0.9157
199 C53 0.9152
200 X48 0.9152
201 HHH 0.9152
202 B40 0.9150
203 428 0.9150
204 KJU 0.9147
205 DHC 0.9145
206 1VK 0.9142
207 XCG 0.9139
208 FMQ 0.9139
209 0JD 0.9135
210 HSO 0.9133
211 GZ2 0.9130
212 INO 0.9129
213 ODK 0.9126
214 9ZE 0.9126
215 6NI 0.9126
216 D48 0.9124
217 SQ4 0.9122
218 P7Y 0.9120
219 KDV 0.9119
220 EGR 0.9116
221 CXH 0.9116
222 2QC 0.9116
223 6KT 0.9113
224 R2P 0.9113
225 JG8 0.9110
226 J5I 0.9110
227 C82 0.9109
228 TYE 0.9107
229 SYV 0.9107
230 PHB 0.9106
231 94W 0.9105
232 BNF 0.9104
233 8WO 0.9103
234 YZM 0.9102
235 SLS 0.9102
236 HC4 0.9102
237 HGA 0.9099
238 2HG 0.9099
239 9FH 0.9099
240 PCS 0.9098
241 E7S 0.9097
242 SWX 0.9094
243 36M 0.9093
244 258 0.9092
245 K80 0.9090
246 G3E 0.9090
247 268 0.9088
248 TZM 0.9087
249 NPO 0.9087
250 NYL 0.9086
251 E1T 0.9084
252 RNO 0.9084
253 4I8 0.9083
254 BZ3 0.9082
255 FEH 0.9081
256 ES2 0.9081
257 SE2 0.9080
258 2HU 0.9077
259 6HO 0.9077
260 ONR 0.9076
261 PAB 0.9074
262 5NI 0.9069
263 JDN 0.9068
264 SQ7 0.9067
265 PBZ 0.9067
266 M4T 0.9066
267 PKU 0.9066
268 L14 0.9064
269 1P8 0.9062
270 ZME 0.9060
271 TGX 0.9059
272 6ZX 0.9056
273 ODO 0.9052
274 EYV 0.9052
275 BCU 0.9051
276 K2T 0.9050
277 DEW 0.9047
278 HJH 0.9046
279 152 0.9045
280 4JT 0.9044
281 FBB 0.9043
282 2FX 0.9042
283 CWJ 0.9041
284 4FF 0.9041
285 TB8 0.9040
286 AL0 0.9039
287 QMP 0.9037
288 HF2 0.9034
289 A7H 0.9033
290 6RQ 0.9032
291 1Z6 0.9030
292 P80 0.9029
293 78Y 0.9029
294 EVF 0.9027
295 E5X 0.9027
296 I3E 0.9027
297 FDR 0.9026
298 0W1 0.9025
299 QUS 0.9024
300 MTL 0.9023
301 EYJ 0.9023
302 SHA 0.9022
303 SNO 0.9022
304 MPK 0.9022
305 LL1 0.9020
306 COU 0.9020
307 2AQ 0.9020
308 GF4 0.9018
309 X6W 0.9015
310 NF3 0.9014
311 0F9 0.9014
312 HPS 0.9014
313 30G 0.9014
314 80G 0.9012
315 GJP 0.9012
316 FF2 0.9011
317 EQW 0.9011
318 2D2 0.9010
319 2HQ 0.9010
320 SAF 0.9009
321 PBA 0.9005
322 C0H 0.9004
323 CLW 0.9000
324 VGD 0.9000
325 ES5 0.9000
326 BVA 0.8997
327 9R5 0.8996
328 H42 0.8995
329 EXD 0.8992
330 SHI 0.8992
331 DHB 0.8991
332 PBN 0.8990
333 03V 0.8990
334 OCH 0.8990
335 GLO 0.8989
336 VM1 0.8989
337 93K 0.8987
338 4NB 0.8987
339 FUD 0.8987
340 VXX 0.8985
341 3VW 0.8984
342 GNW 0.8983
343 OOG 0.8983
344 Z5P 0.8982
345 PAC 0.8981
346 E3X 0.8980
347 7Q1 0.8978
348 QSB 0.8976
349 SOR 0.8975
350 P81 0.8975
351 4FA 0.8974
352 DHY 0.8973
353 P9P 0.8973
354 M1Z 0.8972
355 4FS 0.8970
356 36R 0.8970
357 GWM 0.8969
358 717 0.8969
359 LEL 0.8969
360 OKG 0.8968
361 IHB 0.8967
362 7BC 0.8964
363 JAH 0.8964
364 LT2 0.8964
365 5F5 0.8962
366 FTV 0.8960
367 BEA 0.8960
368 ET2 0.8960
369 QIV 0.8956
370 1BN 0.8955
371 9TW 0.8954
372 AMH 0.8952
373 B85 0.8952
374 GLN 0.8951
375 259 0.8951
376 4HB 0.8950
377 4RU 0.8950
378 KYN 0.8949
379 A5H 0.8948
380 3TC 0.8948
381 KDG 0.8948
382 4NM 0.8947
383 CHB 0.8947
384 D8Q 0.8946
385 0LO 0.8946
386 KMY 0.8945
387 HBD 0.8945
388 A3M 0.8945
389 AC6 0.8941
390 344 0.8940
391 S7S 0.8939
392 KTA 0.8939
393 TZL 0.8939
394 2BX 0.8938
395 BPN 0.8938
396 6Q3 0.8938
397 DTY 0.8936
398 R9Y 0.8935
399 KMH 0.8934
400 Q06 0.8934
401 HBO 0.8933
402 M5E 0.8932
403 MYJ 0.8930
404 NNO 0.8930
405 5F8 0.8927
406 MEQ 0.8927
407 FCD 0.8926
408 J9T 0.8925
409 B4O 0.8925
410 4BZ 0.8925
411 2FQ 0.8925
412 6QF 0.8925
413 DQU 0.8924
414 OK7 0.8923
415 K4V 0.8922
416 8NX 0.8922
417 A7N 0.8921
418 5FL 0.8920
419 7MX 0.8920
420 S8V 0.8919
421 M3E 0.8919
422 8NB 0.8919
423 1Y6 0.8918
424 SDD 0.8918
425 YPN 0.8917
426 DGL 0.8917
427 DZA 0.8916
428 DGN 0.8916
429 N8Y 0.8911
430 4NC 0.8910
431 ZYR 0.8910
432 ERZ 0.8908
433 BRH 0.8908
434 GLY GLY 0.8904
435 I3A 0.8904
436 CS2 0.8902
437 2B4 0.8901
438 GLU 0.8901
439 ANC 0.8901
440 8XL 0.8900
441 FHB 0.8900
442 86J 0.8900
443 4A3 0.8900
444 3R4 0.8899
445 4VY 0.8899
446 Y3L 0.8898
447 AMQ 0.8898
448 6ME 0.8897
449 OVM 0.8896
450 GOJ 0.8895
451 2FY 0.8894
452 92P 0.8894
453 AJY 0.8892
454 PFF 0.8891
455 6MW 0.8890
456 5TY 0.8890
457 1HN 0.8890
458 2IT 0.8890
459 GGL 0.8890
460 W29 0.8889
461 LJ3 0.8889
462 F31 0.8889
463 X0V 0.8889
464 TAG 0.8888
465 11C 0.8888
466 DAL DAL 0.8888
467 AHN 0.8886
468 49F 0.8886
469 TJM 0.8886
470 HRM 0.8886
471 LZ5 0.8886
472 AX3 0.8885
473 7QS 0.8883
474 LFC 0.8882
475 27B 0.8882
476 RQD 0.8882
477 F9Y 0.8881
478 AJV 0.8880
479 12T 0.8879
480 MXD 0.8877
481 X11 0.8876
482 2O6 0.8876
483 4MA 0.8876
484 DC5 0.8876
485 JB8 0.8875
486 8W9 0.8875
487 RAT 0.8875
488 KLE 0.8875
489 LPK 0.8874
490 SYC 0.8872
491 5VM 0.8870
492 PRL 0.8869
493 P72 0.8869
494 F16 0.8868
495 V1T 0.8868
496 QX4 0.8867
497 PH2 0.8867
498 HA5 0.8867
499 2HO 0.8867
500 3C5 0.8867
501 SRO 0.8866
502 9FE 0.8865
503 CCU 0.8864
504 YRL 0.8864
505 Z82 0.8863
506 M4N 0.8863
507 FBJ 0.8863
508 MR1 0.8863
509 PEY 0.8861
510 KUF 0.8860
511 MAH 0.8859
512 MMJ 0.8859
513 3QM 0.8859
514 LYS 0.8858
515 B2T 0.8856
516 XX2 0.8855
517 S7J 0.8851
518 4FH 0.8850
519 3HM 0.8850
520 GZL 0.8850
521 3C4 0.8849
522 ASC 0.8848
523 GDE 0.8848
524 3AE 0.8848
525 PD2 0.8848
526 DIN 0.8847
527 TTL 0.8846
528 0FK 0.8846
529 2PV 0.8846
530 B62 0.8842
531 JLZ 0.8841
532 4TB 0.8841
533 3GV 0.8841
534 JMG 0.8841
535 8U3 0.8840
536 5OB 0.8839
537 DAH 0.8839
538 MAJ 0.8838
539 IOS 0.8838
540 XI7 0.8837
541 9RW 0.8835
542 XRG 0.8834
543 ATX 0.8831
544 28A 0.8831
545 S0D 0.8831
546 39O 0.8830
547 LVD 0.8830
548 MS9 0.8827
549 ARG 0.8827
550 RMN 0.8826
551 MXN 0.8826
552 OQC 0.8825
553 AEF 0.8825
554 5QX 0.8824
555 IFP 0.8824
556 L1T 0.8824
557 JA8 0.8824
558 TYC 0.8819
559 BIK 0.8818
560 SOJ 0.8817
561 DHK 0.8817
562 ABV 0.8817
563 AY4 0.8817
564 AEG 0.8814
565 AUV 0.8813
566 QY9 0.8813
567 0P6 0.8813
568 PZI 0.8812
569 GCO 0.8812
570 TSU 0.8811
571 DMD 0.8810
572 JP2 0.8810
573 5H6 0.8809
574 F2W 0.8808
575 3VS 0.8808
576 0K7 0.8807
577 92K 0.8807
578 1X4 0.8807
579 9UL 0.8806
580 AX7 0.8805
581 8CC 0.8804
582 5TZ 0.8804
583 LT1 0.8803
584 AVA 0.8803
585 EWG 0.8803
586 8WT 0.8802
587 264 0.8802
588 CTL 0.8802
589 SD4 0.8802
590 5WV 0.8800
591 1KP 0.8800
592 7ME 0.8800
593 LFQ 0.8800
594 CFA 0.8799
595 MD6 0.8799
596 45L 0.8798
597 7UZ 0.8798
598 GUA 0.8797
599 CUW 0.8797
600 3PG 0.8796
601 HHR 0.8796
602 HG3 0.8794
603 CLZ 0.8794
604 BZQ 0.8793
605 JCZ 0.8793
606 7R4 0.8792
607 E0O 0.8792
608 TIA 0.8791
609 S0E 0.8791
610 FCR 0.8790
611 826 0.8790
612 7MW 0.8790
613 SMN 0.8788
614 THU 0.8788
615 SKM 0.8788
616 DHR 0.8786
617 GAB 0.8785
618 5C1 0.8785
619 QSH 0.8782
620 LDP 0.8782
621 SSC 0.8781
622 4J8 0.8781
623 N0Z 0.8780
624 68A 0.8780
625 FQX 0.8780
626 MRW 0.8780
627 2AL 0.8779
628 60L 0.8778
629 A7W 0.8777
630 FBF 0.8777
631 8HC 0.8776
632 EA1 0.8776
633 M4S 0.8774
634 XBT 0.8774
635 5GT 0.8773
636 YE6 0.8772
637 4SX 0.8771
638 23J 0.8770
639 TSS 0.8769
640 4BF 0.8767
641 KYA 0.8763
642 NAG 0.8762
643 BEN 0.8762
644 MLT 0.8762
645 HHS 0.8761
646 GRO 0.8760
647 MVN 0.8760
648 ZEC 0.8760
649 3Z8 0.8760
650 EKZ 0.8759
651 YTX 0.8759
652 2PK 0.8758
653 44V 0.8758
654 LR5 0.8758
655 J9W 0.8757
656 LO1 0.8757
657 PGH 0.8756
658 SN4 0.8755
659 549 0.8753
660 4HP 0.8753
661 49O 0.8753
662 3VX 0.8752
663 DX3 0.8751
664 ANF 0.8750
665 TOH 0.8750
666 HQD 0.8749
667 0XT 0.8749
668 B21 0.8749
669 ICO 0.8748
670 RP3 0.8747
671 0VT 0.8746
672 SAN 0.8745
673 N4E 0.8745
674 GO8 0.8745
675 6L6 0.8745
676 9RH 0.8744
677 3ID 0.8742
678 SV4 0.8742
679 Q04 0.8741
680 AMS 0.8741
681 FBS 0.8741
682 IV2 0.8740
683 DEE 0.8740
684 AA 0.8740
685 IAC 0.8740
686 0FO 0.8740
687 DDU 0.8739
688 DOB 0.8738
689 ITE 0.8738
690 JGB 0.8738
691 PRO GLY 0.8736
692 OA1 0.8736
693 5RO 0.8736
694 E4P 0.8735
695 OAA 0.8735
696 2UB 0.8734
697 KLS 0.8734
698 TR4 0.8733
699 3QO 0.8733
700 SYM 0.8732
701 650 0.8731
702 ES7 0.8730
703 OTW 0.8730
704 Q03 0.8729
705 4JC 0.8729
706 SEP 0.8729
707 1ZC 0.8729
708 I2E 0.8728
709 6J5 0.8728
710 3HG 0.8728
711 SKF 0.8727
712 N91 0.8726
713 BEZ 0.8726
714 RD4 0.8726
715 CXF 0.8725
716 2FT 0.8725
717 C2Y 0.8725
718 ZBT 0.8722
719 RM1 0.8722
720 13P 0.8721
721 DRG 0.8720
722 GB5 0.8719
723 UN1 0.8718
724 JB5 0.8717
725 Q02 0.8716
726 5O6 0.8716
727 5RN 0.8715
728 PHI 0.8714
729 GNM 0.8712
730 L15 0.8712
731 BHA 0.8711
732 FAN 0.8710
733 CWS 0.8710
734 PBC 0.8710
735 4MU 0.8709
736 IPO 0.8707
737 BAM 0.8703
738 4NZ 0.8703
739 5XB 0.8703
740 RA7 0.8701
741 SOV 0.8701
742 WOE 0.8700
743 KKN 0.8700
744 ISN 0.8700
745 MMS 0.8696
746 MNN 0.8694
747 PMF 0.8693
748 HQT 0.8693
749 G3P 0.8693
750 URS 0.8692
751 VC3 0.8692
752 XM0 0.8692
753 YIE 0.8691
754 6J9 0.8691
755 PRZ 0.8690
756 Z70 0.8686
757 VNL 0.8686
758 TRP 0.8685
759 7ZL 0.8684
760 AVI 0.8684
761 FQI 0.8683
762 NIO 0.8683
763 505 0.8682
764 NDH 0.8682
765 2MI 0.8681
766 BGU 0.8681
767 S60 0.8680
768 XQ0 0.8680
769 UNU 0.8678
770 XRX 0.8678
771 1PS 0.8677
772 3HB 0.8677
773 OW4 0.8676
774 SSB 0.8676
775 1KN 0.8673
776 EUE 0.8673
777 XAZ 0.8671
778 FA1 0.8671
779 0N7 0.8670
780 1DJ 0.8670
781 LTL 0.8668
782 M5H 0.8667
783 NCA 0.8667
784 6PC 0.8665
785 3NT 0.8665
786 KF5 0.8665
787 AMR 0.8664
788 270 0.8664
789 833 0.8662
790 G3H 0.8662
791 8D6 0.8661
792 XHP 0.8660
793 0OC 0.8658
794 Z13 0.8658
795 SW7 0.8656
796 ASP 0.8655
797 AZM 0.8654
798 44W 0.8653
799 5OO 0.8653
800 27K 0.8653
801 42J 0.8652
802 FA0 0.8652
803 Q4G 0.8652
804 2K8 0.8652
805 4FP 0.8651
806 4AA 0.8651
807 LMR 0.8650
808 AZ9 0.8650
809 1P7 0.8650
810 12Q 0.8650
811 2AK 0.8650
812 EQA 0.8650
813 SKA 0.8650
814 FGZ 0.8648
815 M4E 0.8647
816 SME 0.8647
817 UFO 0.8646
818 CSN 0.8646
819 TWO 0.8644
820 53C 0.8644
821 174 0.8640
822 ROI 0.8639
823 Y4L 0.8639
824 BVS 0.8639
825 2GD 0.8634
826 4HC 0.8634
827 3AL 0.8632
828 AG2 0.8632
829 B1J 0.8632
830 L5D 0.8631
831 DPT 0.8630
832 7W4 0.8630
833 URC 0.8629
834 N2M 0.8628
835 M1Q 0.8627
836 Q24 0.8626
837 DNF 0.8626
838 1XS 0.8624
839 I4B 0.8624
840 0SY 0.8624
841 BQ5 0.8623
842 9NB 0.8622
843 HMH 0.8621
844 4TU 0.8621
845 8CM 0.8620
846 GP9 0.8619
847 IQQ 0.8618
848 TCR 0.8618
849 7W1 0.8618
850 A9B 0.8615
851 3OM 0.8611
852 THA 0.8610
853 STX 0.8609
854 BDP 0.8609
855 4Z4 0.8608
856 S1D 0.8603
857 4M0 0.8602
858 F06 0.8602
859 OEG 0.8601
860 11S 0.8600
861 F60 0.8600
862 HJ7 0.8598
863 5GV 0.8595
864 TH7 0.8595
865 DHS 0.8589
866 M2K 0.8584
867 28N 0.8583
868 AAS 0.8579
869 CCE 0.8577
870 DUR 0.8575
871 RSO 0.8568
872 14O 0.8568
873 QMR 0.8567
874 WCE 0.8564
875 PRF 0.8560
876 5MB 0.8560
877 5B1 0.8560
878 UFV 0.8560
879 BGC 0.8560
880 H5B 0.8557
881 M5K 0.8556
882 S0W 0.8556
883 5H1 0.8554
884 CLU 0.8551
885 5JQ 0.8550
886 6AI 0.8550
887 PXL 0.8550
888 QME 0.8550
889 JBZ 0.8548
890 4ME 0.8541
891 FK1 0.8540
892 ES9 0.8540
893 ACA 0.8538
894 ZYQ 0.8529
895 FP1 0.8528
896 6P3 0.8527
897 2UZ 0.8525
898 R9J 0.8519
899 54X 0.8512
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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