Receptor
PDB id Resolution Class Description Source Keywords
2EUR 1.39 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE (CCP) IN COMPLEX WITH 4- PYRIDYLCARBINOL SACCHAROMYCES CEREVISIAE ENGINEERED LIGAND BINDING SITE OXIDOREDUCTASE
Ref.: PROBING MOLECULAR DOCKING IN A CHARGED MODEL BINDING SITE. J.MOL.BIOL. V. 357 1449 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:295;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
PY7 A:400;
Valid;
none;
submit data
109.126 C6 H7 N O c1cnc...
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: PY7; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PY7 1 1
2 PYF 0.4 0.9375
Similar Ligands (3D)
Ligand no: 1; Ligand: PY7; Similar ligands found: 913
No: Ligand Similarity coefficient
1 HBX 1.0000
2 282 1.0000
3 ABN 1.0000
4 AMC 1.0000
5 FPI 1.0000
6 PYJ 1.0000
7 SYN 0.9982
8 APY 0.9955
9 B24 0.9947
10 9CL 0.9909
11 1MR 0.9870
12 MZ0 0.9830
13 NCA 0.9806
14 NBE 0.9802
15 NTN 0.9798
16 YCP 0.9791
17 NVI 0.9787
18 BEN 0.9783
19 BEZ 0.9781
20 PBC 0.9779
21 BAM 0.9759
22 1DU 0.9757
23 NIO 0.9752
24 GXE 0.9737
25 FOA 0.9736
26 BVC 0.9735
27 6PC 0.9733
28 PZA 0.9726
29 271 0.9720
30 NBZ 0.9712
31 VGL 0.9706
32 HVQ 0.9703
33 UNU 0.9697
34 1PT 0.9697
35 CXL 0.9688
36 RSO 0.9677
37 IPH 0.9669
38 FAN 0.9666
39 CYH 0.9655
40 SMV 0.9649
41 HAI 0.9648
42 SS2 0.9648
43 BVG 0.9647
44 4JU 0.9644
45 BE7 0.9644
46 V1L 0.9643
47 HHN 0.9640
48 HGW 0.9638
49 MBN 0.9637
50 HY1 0.9634
51 PRO 0.9633
52 TTO 0.9632
53 M58 0.9630
54 HBA 0.9628
55 8CL 0.9626
56 AC0 0.9620
57 PIH 0.9615
58 SS1 0.9609
59 5AC 0.9605
60 HSM 0.9604
61 PEA 0.9604
62 93B 0.9602
63 4HS 0.9600
64 2IM 0.9595
65 2EZ 0.9594
66 R8A 0.9593
67 WOT 0.9591
68 2MH 0.9589
69 IT2 0.9588
70 3AP 0.9587
71 DEN 0.9584
72 TP5 0.9583
73 4JL 0.9575
74 2PC 0.9575
75 BP9 0.9572
76 QSC 0.9570
77 IND 0.9570
78 JBN 0.9565
79 TZC 0.9565
80 J1Z 0.9565
81 LZ1 0.9562
82 PYC 0.9562
83 9X7 0.9559
84 273 0.9559
85 0R1 0.9558
86 2AP 0.9551
87 4AP 0.9546
88 4JP 0.9545
89 GVH 0.9543
90 HVK 0.9542
91 LGA 0.9542
92 286 0.9539
93 FBA 0.9538
94 HRZ 0.9537
95 MPI 0.9536
96 BZF 0.9533
97 BZI 0.9533
98 JZ1 0.9533
99 4CH 0.9532
100 MZW 0.9532
101 HQE 0.9525
102 JZ3 0.9522
103 NK 0.9521
104 4VP 0.9520
105 PEL 0.9520
106 C21 0.9519
107 C2A 0.9514
108 PLQ 0.9510
109 25R 0.9509
110 BML 0.9509
111 OXQ 0.9508
112 OHG 0.9507
113 BNS 0.9507
114 9PO 0.9506
115 JZ5 0.9505
116 A2Q 0.9500
117 RSF 0.9500
118 IDM 0.9499
119 PXY 0.9498
120 LG4 0.9497
121 JAB 0.9497
122 FPN 0.9494
123 DA1 0.9491
124 0R0 0.9491
125 CXF 0.9489
126 GAG 0.9487
127 PCR 0.9485
128 URF 0.9485
129 265 0.9483
130 AHR 0.9480
131 C2B 0.9479
132 URA 0.9475
133 4HO 0.9471
134 CRS 0.9469
135 51F 0.9469
136 L60 0.9468
137 RCO 0.9466
138 280 0.9466
139 DMG 0.9464
140 R2B 0.9463
141 3CH 0.9458
142 HPY 0.9451
143 WBU 0.9451
144 MCT 0.9451
145 TZE 0.9450
146 1MC 0.9445
147 GBD 0.9445
148 ECE 0.9445
149 2AC 0.9443
150 278 0.9442
151 275 0.9441
152 HEW 0.9438
153 26D 0.9437
154 PRI 0.9434
155 1AB 0.9434
156 CYS 0.9426
157 4CL 0.9425
158 4ZE 0.9423
159 MWM 0.9423
160 0CT 0.9423
161 PHB 0.9420
162 M3T 0.9417
163 TFB 0.9413
164 HY3 0.9413
165 SAL 0.9412
166 B3R 0.9411
167 A1U 0.9409
168 1DH 0.9408
169 HCS 0.9408
170 HGQ 0.9405
171 TDR 0.9404
172 H8N 0.9403
173 HBD 0.9402
174 4H2 0.9400
175 25T 0.9399
176 60P 0.9397
177 CYT 0.9397
178 NMJ 0.9397
179 LG3 0.9394
180 BE2 0.9394
181 ICP 0.9393
182 4JJ 0.9393
183 PYD 0.9393
184 2KT 0.9393
185 HIU 0.9391
186 CEE 0.9389
187 XYD 0.9389
188 4JN 0.9388
189 27Y 0.9386
190 OAA 0.9386
191 HSE 0.9385
192 7WG 0.9383
193 LDU 0.9382
194 E60 0.9381
195 FPY 0.9381
196 EDG 0.9381
197 JZ2 0.9380
198 BR9 0.9378
199 BVF 0.9376
200 34A 0.9376
201 2MP 0.9376
202 23W 0.9370
203 XBZ 0.9368
204 PCA 0.9368
205 4XR 0.9367
206 TH0 0.9366
207 8GC 0.9366
208 CEJ 0.9364
209 3PY 0.9363
210 NPO 0.9363
211 AX7 0.9361
212 270 0.9361
213 40E 0.9360
214 MLA 0.9359
215 KOJ 0.9353
216 RIB 0.9352
217 H3M 0.9350
218 2MI 0.9349
219 CIG 0.9348
220 ES6 0.9346
221 7EX 0.9346
222 1Y6 0.9344
223 BZX 0.9343
224 MLI 0.9343
225 2DR 0.9343
226 4SV 0.9342
227 IOL 0.9339
228 MWJ 0.9331
229 4JM 0.9330
230 HDA 0.9329
231 LG5 0.9328
232 6AI 0.9324
233 KG7 0.9324
234 DUC 0.9324
235 P92 0.9322
236 3AB 0.9321
237 24T 0.9321
238 QUZ 0.9320
239 ICC 0.9320
240 JBE 0.9319
241 5H1 0.9318
242 VAL 0.9318
243 4CS 0.9317
244 ABV 0.9316
245 284 0.9311
246 IP0 0.9309
247 69O 0.9306
248 PAB 0.9306
249 MAK 0.9305
250 HHQ 0.9304
251 LMR 0.9304
252 5MB 0.9303
253 8GF 0.9303
254 2K4 0.9300
255 Z82 0.9300
256 285 0.9294
257 JZ7 0.9293
258 MLT 0.9291
259 T2C 0.9291
260 3U4 0.9291
261 5UC 0.9289
262 1LN 0.9289
263 F60 0.9286
264 PYZ 0.9285
265 IFM 0.9284
266 14O 0.9281
267 1WD 0.9280
268 MZG 0.9280
269 5JC 0.9278
270 IDH 0.9277
271 DSN 0.9277
272 HT4 0.9276
273 NPY 0.9275
274 BEW 0.9274
275 3NT 0.9274
276 3HB 0.9274
277 5MI 0.9274
278 JZ4 0.9273
279 ES9 0.9272
280 2LP 0.9271
281 DFB 0.9271
282 WCE 0.9269
283 5HN 0.9269
284 VNJ 0.9265
285 MLM 0.9264
286 826 0.9264
287 JZ9 0.9260
288 HYN 0.9260
289 JKE 0.9259
290 3SK 0.9259
291 UY7 0.9257
292 XM0 0.9255
293 KIV 0.9253
294 SER 0.9253
295 DGY 0.9253
296 GAB 0.9251
297 BYZ 0.9251
298 BHO 0.9251
299 23A 0.9250
300 7WV 0.9249
301 NEQ 0.9249
302 MZY 0.9248
303 P72 0.9248
304 SW7 0.9247
305 PBZ 0.9246
306 43M 0.9243
307 OVV 0.9238
308 4MA 0.9236
309 NIZ 0.9232
310 11S 0.9232
311 XIX 0.9232
312 BRT 0.9232
313 I1E 0.9232
314 5MH 0.9230
315 PRS 0.9228
316 54D 0.9227
317 2YU 0.9221
318 MRZ 0.9221
319 ISZ 0.9220
320 47J 0.9218
321 3BZ 0.9217
322 TMZ 0.9217
323 4MZ 0.9216
324 FB2 0.9214
325 JAE 0.9213
326 UGC 0.9211
327 174 0.9211
328 ES3 0.9211
329 3OC 0.9211
330 BSX 0.9210
331 ATQ 0.9210
332 ADE 0.9210
333 TM7 0.9210
334 C5J 0.9207
335 F81 0.9204
336 XYP 0.9203
337 1CB 0.9203
338 14J 0.9203
339 R1X 0.9201
340 53C 0.9200
341 HPA 0.9200
342 FQI 0.9199
343 QY9 0.9199
344 5KX 0.9197
345 2CH 0.9195
346 F05 0.9195
347 SWD 0.9194
348 ASN 0.9194
349 FYU 0.9193
350 P3K 0.9192
351 FP1 0.9190
352 6X8 0.9190
353 4XX 0.9190
354 H4N 0.9188
355 FK1 0.9186
356 261 0.9185
357 ABA 0.9182
358 3MT 0.9181
359 CFI 0.9181
360 TMT 0.9180
361 938 0.9180
362 0TR 0.9179
363 GOL 0.9178
364 DTL 0.9178
365 CRN 0.9170
366 AC6 0.9170
367 3XX 0.9168
368 DCY 0.9168
369 OXZ 0.9168
370 2CK 0.9167
371 6M9 0.9165
372 3ZQ 0.9164
373 JZ6 0.9164
374 HLR 0.9163
375 9DA 0.9162
376 PMB 0.9161
377 10L 0.9160
378 6M4 0.9160
379 SIN 0.9158
380 IQ0 0.9158
381 BAQ 0.9158
382 717 0.9158
383 5MP 0.9157
384 0RW 0.9156
385 Y8I 0.9155
386 DPR 0.9153
387 2MZ 0.9152
388 SVN 0.9151
389 93Q 0.9150
390 CAQ 0.9150
391 KSW 0.9149
392 MAE 0.9148
393 LXC 0.9148
394 MMZ 0.9145
395 9EW 0.9140
396 HTS 0.9140
397 GBL 0.9139
398 IMR 0.9138
399 GIF 0.9137
400 AZF 0.9135
401 1MZ 0.9133
402 FEH 0.9133
403 7HP 0.9131
404 3MC 0.9129
405 RBJ 0.9126
406 9YL 0.9124
407 GLC 0.9123
408 3TR 0.9123
409 DHR 0.9123
410 PYG 0.9122
411 HX3 0.9121
412 1DQ 0.9121
413 AAE 0.9120
414 OK7 0.9120
415 ASP 0.9120
416 PZI 0.9119
417 TPA 0.9119
418 SAR 0.9118
419 DXX 0.9118
420 3CE 0.9117
421 A3B 0.9117
422 9HX 0.9116
423 THR 0.9115
424 4JO 0.9115
425 HMH 0.9113
426 24B 0.9111
427 6MP 0.9110
428 1AN 0.9110
429 MB3 0.9109
430 KYD 0.9109
431 7N0 0.9107
432 COI 0.9104
433 OXE 0.9100
434 ABU 0.9100
435 7WA 0.9099
436 HMU 0.9095
437 AGK 0.9094
438 8NY 0.9094
439 HYP 0.9093
440 P2D 0.9092
441 XBT 0.9088
442 AMT 0.9086
443 4FA 0.9085
444 PRY 0.9084
445 MXN 0.9083
446 DBH 0.9080
447 FP2 0.9080
448 MR3 0.9080
449 8LG 0.9080
450 LEA 0.9080
451 ITN 0.9079
452 92Z 0.9079
453 IUR 0.9079
454 NOJ 0.9077
455 MBD 0.9076
456 BP1 0.9076
457 SRT 0.9075
458 JFJ 0.9075
459 MRY 0.9074
460 NVA 0.9072
461 3F0 0.9071
462 Q88 0.9071
463 BUA 0.9069
464 BAL 0.9066
465 6MH 0.9066
466 DHB 0.9065
467 3HA 0.9064
468 BTE 0.9064
469 LER 0.9063
470 YAN 0.9060
471 TH7 0.9060
472 HOW 0.9059
473 2A7 0.9058
474 2MY 0.9055
475 ES4 0.9050
476 2CM 0.9050
477 FBM 0.9050
478 3FA 0.9048
479 TM4 0.9047
480 M4T 0.9047
481 03W 0.9047
482 ALO 0.9043
483 URS 0.9043
484 DAB 0.9042
485 M2H 0.9042
486 TLD 0.9041
487 JIF 0.9041
488 2C9 0.9040
489 2AF 0.9040
490 IZC 0.9040
491 2XX 0.9039
492 HUI 0.9037
493 3MH 0.9036
494 PAC 0.9031
495 3M0 0.9030
496 INO 0.9030
497 FLM 0.9029
498 YHO 0.9029
499 PM6 0.9028
500 AEF 0.9028
501 2AI 0.9027
502 3OH 0.9025
503 FFP 0.9022
504 CWM 0.9022
505 MNN 0.9022
506 DYA 0.9020
507 ZBT 0.9020
508 7CZ 0.9020
509 ES0 0.9020
510 1P3 0.9019
511 M6W 0.9017
512 TLA 0.9017
513 ZZT 0.9015
514 GMN 0.9014
515 DAS 0.9013
516 PHU 0.9010
517 76X 0.9010
518 SGL 0.9009
519 L89 0.9008
520 YRL 0.9008
521 192 0.9007
522 GYE 0.9006
523 1DJ 0.9005
524 RUU 0.9005
525 4NC 0.9004
526 3HM 0.9003
527 ORN 0.9003
528 8H8 0.9002
529 2HO 0.9001
530 JB5 0.9000
531 XX2 0.9000
532 HSL 0.8999
533 FUB 0.8997
534 NNO 0.8995
535 JLZ 0.8995
536 CP 0.8992
537 TZL 0.8992
538 F9P 0.8991
539 40O 0.8991
540 S76 0.8990
541 67N 0.8989
542 FHB 0.8988
543 ITU 0.8988
544 DTU 0.8987
545 93K 0.8982
546 6UA 0.8982
547 3ID 0.8981
548 4A3 0.8981
549 1XX 0.8980
550 1DW 0.8980
551 BMD 0.8980
552 FW5 0.8978
553 O7U 0.8978
554 COU 0.8975
555 NSP 0.8974
556 CIZ 0.8974
557 1SQ 0.8973
558 MYJ 0.8971
559 PBE 0.8970
560 AKB 0.8969
561 FBJ 0.8968
562 260 0.8967
563 TEO 0.8965
564 GJZ 0.8961
565 DUB 0.8961
566 5ZE 0.8960
567 2ZX 0.8960
568 HHA 0.8958
569 HZP 0.8957
570 SSN 0.8955
571 7MH 0.8955
572 M1A 0.8953
573 03V 0.8952
574 LEU 0.8952
575 DMI 0.8949
576 XQ0 0.8948
577 ES5 0.8948
578 JZ0 0.8946
579 URP 0.8946
580 3Z7 0.8944
581 4ZC 0.8944
582 1LQ 0.8944
583 C2N 0.8944
584 G4D 0.8942
585 AX2 0.8941
586 XYS 0.8941
587 IHG 0.8939
588 RIP 0.8935
589 0MK 0.8935
590 IOM 0.8932
591 SPA 0.8931
592 24W 0.8931
593 P9P 0.8931
594 O72 0.8931
595 8EZ 0.8931
596 RP7 0.8930
597 DGJ 0.8928
598 2AQ 0.8926
599 268 0.8925
600 H76 0.8924
601 4DX 0.8922
602 9TW 0.8922
603 1WG 0.8921
604 4FS 0.8921
605 FA0 0.8921
606 ORO 0.8920
607 XUL 0.8920
608 I4B 0.8920
609 HIO 0.8919
610 DBB 0.8918
611 5SG 0.8917
612 FBV 0.8917
613 3HL 0.8915
614 HX2 0.8914
615 5OB 0.8913
616 1NP 0.8913
617 PAE 0.8912
618 L3Q 0.8912
619 PKU 0.8912
620 ES1 0.8912
621 CHB 0.8911
622 2D0 0.8911
623 N5J 0.8909
624 DMD 0.8908
625 5IQ 0.8906
626 MEU 0.8905
627 FB1 0.8905
628 HQY 0.8903
629 BAE 0.8901
630 5CU 0.8901
631 1LM 0.8901
632 5Q0 0.8901
633 WDL 0.8901
634 ES7 0.8901
635 ZZ3 0.8900
636 MTG 0.8900
637 4AX 0.8900
638 ADZ 0.8900
639 DTI 0.8900
640 2CQ 0.8898
641 G2F 0.8895
642 OCH 0.8894
643 QSB 0.8893
644 GRE 0.8892
645 BR8 0.8890
646 2HA 0.8888
647 1DV 0.8887
648 13X 0.8886
649 FUM 0.8886
650 ARB 0.8886
651 JPZ 0.8885
652 LCN 0.8885
653 2ZV 0.8884
654 ET2 0.8884
655 1P8 0.8882
656 5AN 0.8882
657 SNE 0.8882
658 150 0.8881
659 49F 0.8879
660 5WV 0.8879
661 ISN 0.8879
662 Z6J 0.8878
663 4P5 0.8878
664 94N 0.8876
665 CLW 0.8876
666 1P7 0.8876
667 4SD 0.8875
668 H42 0.8875
669 5NU 0.8875
670 URQ 0.8875
671 KKN 0.8874
672 ERH 0.8873
673 2RA 0.8872
674 OXC 0.8871
675 7W4 0.8870
676 FLA 0.8869
677 BZ3 0.8868
678 5VM 0.8867
679 CMS 0.8867
680 4YS 0.8866
681 DOR 0.8865
682 IVA 0.8864
683 IHB 0.8863
684 ARA 0.8863
685 6SP 0.8862
686 9TZ 0.8861
687 36R 0.8860
688 6M1 0.8860
689 DFU 0.8860
690 9TY 0.8860
691 T6C 0.8859
692 MAN 0.8859
693 6F0 0.8858
694 GAL 0.8857
695 4M0 0.8856
696 LYL 0.8856
697 ILE 0.8852
698 7B4 0.8852
699 SX1 0.8851
700 7HQ 0.8851
701 45C 0.8850
702 ES2 0.8850
703 FUC 0.8850
704 THE 0.8848
705 DOB 0.8847
706 5MK 0.8847
707 3AY 0.8846
708 MSF 0.8846
709 DMJ 0.8845
710 VGD 0.8845
711 1M2 0.8844
712 34D 0.8843
713 SLP 0.8843
714 82I 0.8840
715 258 0.8840
716 BHA 0.8840
717 QOS 0.8839
718 LZM 0.8838
719 12M 0.8836
720 BNF 0.8835
721 5RG 0.8835
722 AW5 0.8835
723 HH8 0.8835
724 54G 0.8835
725 R8S 0.8834
726 I3A 0.8834
727 7A8 0.8834
728 AC5 0.8834
729 3SL 0.8833
730 3V4 0.8832
731 5M0 0.8832
732 GTQ 0.8832
733 2CO 0.8831
734 BXO 0.8831
735 5B1 0.8829
736 TAR 0.8826
737 UYA 0.8825
738 TSU 0.8823
739 CSS 0.8823
740 6CS 0.8822
741 XRG 0.8819
742 1SP 0.8819
743 MUC 0.8817
744 RM1 0.8817
745 XIY 0.8817
746 MNM 0.8814
747 VAH 0.8813
748 F4Z 0.8813
749 MET 0.8813
750 42A 0.8812
751 FUL 0.8811
752 MMU 0.8810
753 IF7 0.8809
754 CHT 0.8809
755 RB5 0.8808
756 TCZ 0.8807
757 4XH 0.8807
758 FBW 0.8807
759 KMT 0.8805
760 K2T 0.8804
761 XCZ 0.8803
762 ABE 0.8803
763 CFP 0.8802
764 32O 0.8801
765 D1X 0.8800
766 45L 0.8798
767 2RH 0.8797
768 HDH 0.8797
769 AZA 0.8796
770 51R 0.8796
771 2AL 0.8795
772 IFL 0.8795
773 LDP 0.8793
774 7MU 0.8792
775 XAN 0.8791
776 EHM 0.8791
777 JA8 0.8790
778 FBB 0.8788
779 6GU 0.8788
780 MED 0.8786
781 BUB 0.8785
782 HH5 0.8784
783 ASO 0.8780
784 SHA 0.8780
785 QXW 0.8779
786 F9Y 0.8778
787 MR1 0.8775
788 RHU 0.8775
789 PZM 0.8773
790 A2F 0.8772
791 JYD 0.8769
792 GLU 0.8769
793 42J 0.8767
794 YTB 0.8767
795 2BG 0.8765
796 JFD 0.8761
797 1SA 0.8761
798 DHS 0.8761
799 NOY 0.8760
800 DX4 0.8760
801 6AP 0.8760
802 PUT 0.8760
803 SR1 0.8758
804 OXL 0.8757
805 SAN 0.8755
806 1AC 0.8755
807 DHK 0.8752
808 V55 0.8750
809 FUF 0.8749
810 NMG 0.8749
811 IPB 0.8749
812 QWN 0.8748
813 TC7 0.8748
814 KPL 0.8747
815 GUN 0.8745
816 3BB 0.8744
817 EV0 0.8744
818 FCR 0.8741
819 AS3 0.8741
820 NXA 0.8737
821 PAF 0.8736
822 AKG 0.8736
823 1XN 0.8735
824 ODV 0.8732
825 TBP 0.8730
826 AAS 0.8728
827 141 0.8724
828 GUA 0.8723
829 OPE 0.8722
830 LRH 0.8722
831 9DG 0.8718
832 PEP 0.8718
833 4ZA 0.8717
834 FBS 0.8717
835 0CU 0.8715
836 AZG 0.8713
837 YH7 0.8711
838 4JT 0.8710
839 GDE 0.8708
840 EQT 0.8706
841 4J8 0.8706
842 BOA 0.8705
843 1XM 0.8704
844 290 0.8701
845 S0H 0.8700
846 4WL 0.8698
847 4M4 0.8697
848 F0J 0.8696
849 264 0.8693
850 K34 0.8691
851 IGA 0.8690
852 FJO 0.8681
853 FCA 0.8680
854 ADK 0.8680
855 3ZS 0.8679
856 ICF 0.8678
857 BCP 0.8676
858 3HR 0.8674
859 ROR 0.8669
860 HV2 0.8667
861 TB6 0.8664
862 K5W 0.8662
863 8OZ 0.8660
864 GLA 0.8660
865 GOO 0.8650
866 NYL 0.8650
867 GAF 0.8648
868 M1E 0.8647
869 RMN 0.8647
870 2A9 0.8645
871 069 0.8642
872 8K2 0.8640
873 A8C 0.8639
874 4AA 0.8638
875 173 0.8632
876 4NM 0.8627
877 XAP 0.8626
878 SPV 0.8625
879 OXM 0.8620
880 J9T 0.8617
881 OXD 0.8615
882 CWS 0.8613
883 IV2 0.8613
884 PRA 0.8611
885 A7W 0.8606
886 EUG 0.8605
887 6HQ 0.8603
888 BTL 0.8603
889 3DM 0.8600
890 98J 0.8600
891 SYV 0.8600
892 3FH 0.8600
893 PYR 0.8599
894 0P6 0.8599
895 8WT 0.8591
896 259 0.8580
897 B53 0.8576
898 TYL 0.8576
899 DIE 0.8576
900 MPD 0.8574
901 ETX 0.8570
902 7VD 0.8564
903 OTR 0.8560
904 DS0 0.8554
905 BNZ 0.8547
906 FGZ 0.8547
907 ANN 0.8542
908 5QX 0.8540
909 URC 0.8534
910 5RN 0.8533
911 QSH 0.8529
912 FSG 0.8520
913 NLE 0.8509
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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