Receptor
PDB id Resolution Class Description Source Keywords
2EUT 1.12 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE (CCP) IN COMPLEX WITH 2-AMINO-4- PICOLINE 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
BVF A:401;
Valid;
none;
submit data
108.141 C6 H8 N2 Cc1cc...
HEM A:295;
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: BVF; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 BVF 1 1
2 HEW 0.482759 0.791667
Similar Ligands (3D)
Ligand no: 1; Ligand: BVF; Similar ligands found: 795
No: Ligand Similarity coefficient
1 26D 1.0000
2 CYT 1.0000
3 8GF 1.0000
4 3CH 1.0000
5 CIG 1.0000
6 LG5 1.0000
7 M3T 1.0000
8 RCO 1.0000
9 LG3 1.0000
10 URA 1.0000
11 CRS 1.0000
12 284 1.0000
13 B3R 0.9989
14 4H2 0.9976
15 HGQ 0.9964
16 DUC 0.9958
17 HHQ 0.9903
18 24T 0.9846
19 IDH 0.9820
20 RSF 0.9811
21 CYH 0.9785
22 HPY 0.9780
23 E60 0.9767
24 3ZQ 0.9742
25 HYN 0.9740
26 2DR 0.9739
27 CXL 0.9730
28 CEJ 0.9716
29 XYP 0.9707
30 HAI 0.9705
31 25T 0.9698
32 URF 0.9680
33 MBD 0.9673
34 MCT 0.9670
35 5ZE 0.9668
36 285 0.9667
37 4ZE 0.9665
38 MWM 0.9656
39 2ZX 0.9654
40 A1U 0.9651
41 6UA 0.9651
42 3FA 0.9646
43 4HO 0.9644
44 MZG 0.9642
45 13X 0.9641
46 DMG 0.9640
47 3AY 0.9636
48 2C9 0.9636
49 IPH 0.9635
50 TM7 0.9635
51 MBN 0.9634
52 PYG 0.9633
53 GMN 0.9633
54 FFP 0.9633
55 2AC 0.9632
56 3MC 0.9628
57 2MY 0.9627
58 H3M 0.9627
59 275 0.9625
60 BR9 0.9624
61 40O 0.9623
62 XIX 0.9623
63 3AP 0.9623
64 XBZ 0.9620
65 WDL 0.9618
66 V1L 0.9617
67 TDR 0.9617
68 AX2 0.9617
69 4CL 0.9617
70 XYD 0.9616
71 3CE 0.9614
72 FLM 0.9613
73 9PO 0.9612
74 2MP 0.9612
75 27Y 0.9610
76 ICP 0.9608
77 PYD 0.9608
78 MWJ 0.9606
79 1MC 0.9605
80 WBU 0.9604
81 GXE 0.9602
82 2AP 0.9602
83 HVK 0.9602
84 4JJ 0.9600
85 A2Q 0.9600
86 47J 0.9599
87 282 0.9599
88 34A 0.9597
89 6MH 0.9596
90 WOT 0.9595
91 HT4 0.9595
92 2YU 0.9594
93 8CL 0.9591
94 DUB 0.9590
95 2CM 0.9588
96 5JC 0.9586
97 ERH 0.9584
98 HRZ 0.9583
99 4AP 0.9583
100 CAQ 0.9580
101 JZ2 0.9577
102 LGA 0.9575
103 92Z 0.9574
104 2IM 0.9572
105 93Q 0.9566
106 8LG 0.9565
107 5MH 0.9564
108 43M 0.9563
109 TH0 0.9562
110 L89 0.9560
111 1AN 0.9556
112 BR8 0.9556
113 5UC 0.9556
114 BEW 0.9554
115 ECE 0.9553
116 76X 0.9552
117 C2A 0.9552
118 3MH 0.9550
119 2AF 0.9545
120 FP2 0.9540
121 TM4 0.9535
122 HTS 0.9533
123 OXE 0.9532
124 AHR 0.9529
125 DTL 0.9529
126 TTO 0.9527
127 HHN 0.9527
128 2CH 0.9526
129 5AN 0.9520
130 7EX 0.9518
131 MLM 0.9509
132 4JO 0.9505
133 938 0.9504
134 JZ3 0.9502
135 RP7 0.9499
136 C5J 0.9499
137 ABN 0.9497
138 6X8 0.9494
139 TMT 0.9491
140 NK 0.9489
141 DTI 0.9488
142 23W 0.9481
143 280 0.9476
144 SYN 0.9475
145 TLD 0.9474
146 Y8I 0.9473
147 AMC 0.9470
148 94N 0.9467
149 2KT 0.9467
150 M2H 0.9464
151 IUR 0.9464
152 PYF 0.9464
153 PIH 0.9462
154 FPI 0.9461
155 R8S 0.9460
156 93B 0.9460
157 L60 0.9460
158 MLI 0.9457
159 0R0 0.9451
160 LXC 0.9451
161 MLA 0.9449
162 P2D 0.9448
163 JZ0 0.9446
164 HBX 0.9444
165 HGW 0.9439
166 3Z7 0.9434
167 1PT 0.9425
168 23A 0.9423
169 MZ0 0.9420
170 GAG 0.9419
171 MB3 0.9416
172 4XX 0.9415
173 MZW 0.9415
174 1DH 0.9409
175 HSL 0.9407
176 MLT 0.9402
177 HIU 0.9401
178 ICC 0.9399
179 TCZ 0.9397
180 ADE 0.9395
181 4ZC 0.9395
182 GBD 0.9394
183 XYS 0.9390
184 HPA 0.9388
185 TMZ 0.9388
186 1XX 0.9385
187 4JP 0.9385
188 J1Z 0.9383
189 0R1 0.9378
190 PY7 0.9376
191 DGY 0.9374
192 KSW 0.9373
193 MMZ 0.9371
194 GVH 0.9371
195 6MP 0.9369
196 YAN 0.9367
197 OXQ 0.9367
198 4XR 0.9367
199 CYS 0.9365
200 APY 0.9361
201 0CT 0.9354
202 DEN 0.9352
203 7HP 0.9348
204 BZI 0.9348
205 9HX 0.9348
206 YHO 0.9345
207 9DA 0.9340
208 HY3 0.9338
209 5AC 0.9337
210 DMI 0.9334
211 BZF 0.9333
212 PM6 0.9333
213 1MR 0.9330
214 PLQ 0.9328
215 BP1 0.9328
216 4JU 0.9323
217 IND 0.9322
218 7CZ 0.9316
219 NVI 0.9315
220 278 0.9312
221 R8A 0.9310
222 MPI 0.9308
223 FPY 0.9305
224 286 0.9301
225 PCR 0.9301
226 DXX 0.9300
227 ES4 0.9300
228 LZ1 0.9299
229 DSN 0.9297
230 F05 0.9294
231 1DW 0.9291
232 2A7 0.9291
233 6AI 0.9290
234 60P 0.9289
235 HQE 0.9289
236 BTE 0.9287
237 IFM 0.9286
238 LG4 0.9286
239 KG7 0.9284
240 9EW 0.9280
241 O7U 0.9279
242 NMJ 0.9276
243 P3K 0.9276
244 10L 0.9276
245 BZX 0.9275
246 IDM 0.9274
247 PYJ 0.9272
248 0TR 0.9270
249 GOL 0.9267
250 FPN 0.9267
251 9CL 0.9265
252 3PY 0.9264
253 SWD 0.9263
254 HLR 0.9263
255 S76 0.9262
256 DA1 0.9262
257 PXY 0.9261
258 7WA 0.9260
259 4AX 0.9260
260 3XX 0.9258
261 DFB 0.9254
262 MAK 0.9252
263 BVC 0.9250
264 5MB 0.9249
265 NBE 0.9249
266 T6C 0.9245
267 SER 0.9245
268 2MH 0.9242
269 2K4 0.9241
270 25R 0.9240
271 JZ1 0.9240
272 ES9 0.9222
273 QOS 0.9221
274 JIF 0.9220
275 BML 0.9212
276 150 0.9207
277 14O 0.9206
278 5H1 0.9206
279 OXZ 0.9206
280 5MI 0.9205
281 RIP 0.9200
282 7MH 0.9200
283 SAL 0.9200
284 3U4 0.9197
285 AZF 0.9196
286 0RW 0.9191
287 BAQ 0.9190
288 RIB 0.9190
289 FW5 0.9189
290 F60 0.9188
291 ABA 0.9188
292 H76 0.9186
293 SVN 0.9186
294 3MT 0.9185
295 JBE 0.9185
296 4SV 0.9184
297 4JN 0.9178
298 4CH 0.9177
299 4HS 0.9177
300 AGK 0.9176
301 ZZ3 0.9175
302 BE2 0.9174
303 11S 0.9174
304 F81 0.9172
305 0MK 0.9171
306 GIF 0.9171
307 FOA 0.9171
308 ES6 0.9169
309 FUC 0.9168
310 PYC 0.9166
311 B24 0.9164
312 FYU 0.9161
313 1WG 0.9158
314 1CB 0.9155
315 AMT 0.9147
316 TAR 0.9146
317 3TR 0.9146
318 H4N 0.9146
319 AAE 0.9145
320 NEQ 0.9142
321 35C 0.9139
322 OHG 0.9138
323 NCA 0.9137
324 8GC 0.9137
325 2CQ 0.9136
326 53C 0.9135
327 PRO 0.9135
328 6HQ 0.9133
329 4MZ 0.9131
330 DFU 0.9130
331 FK1 0.9128
332 45C 0.9126
333 HVQ 0.9124
334 4CS 0.9123
335 YCP 0.9122
336 ARB 0.9121
337 5MP 0.9119
338 3NT 0.9118
339 9X7 0.9117
340 LER 0.9117
341 1DU 0.9117
342 12M 0.9116
343 GAB 0.9116
344 YTB 0.9114
345 GLC 0.9106
346 BEZ 0.9105
347 8NY 0.9103
348 MZY 0.9102
349 3AB 0.9101
350 3GR 0.9101
351 JZ9 0.9099
352 F4Z 0.9099
353 VAL 0.9099
354 TP5 0.9098
355 SEJ 0.9097
356 ATQ 0.9097
357 MR3 0.9097
358 BEN 0.9096
359 TZC 0.9095
360 64K 0.9095
361 ARA 0.9094
362 5HN 0.9094
363 6PC 0.9093
364 HMH 0.9092
365 BVG 0.9092
366 HOW 0.9089
367 KOJ 0.9088
368 1MZ 0.9087
369 FUL 0.9087
370 TBP 0.9084
371 2MZ 0.9082
372 6M4 0.9081
373 AZA 0.9081
374 Z6J 0.9081
375 4DX 0.9079
376 5RG 0.9079
377 LDU 0.9078
378 L3Q 0.9078
379 265 0.9076
380 NBZ 0.9073
381 PZA 0.9073
382 ASP 0.9072
383 TC7 0.9071
384 JAE 0.9068
385 KIV 0.9068
386 2AI 0.9067
387 6M9 0.9066
388 GBL 0.9066
389 JAB 0.9064
390 3HB 0.9063
391 WCE 0.9063
392 GUN 0.9060
393 VGL 0.9059
394 6AP 0.9059
395 273 0.9059
396 QUZ 0.9057
397 AUD 0.9056
398 FUF 0.9056
399 R2B 0.9056
400 JFD 0.9055
401 A2F 0.9055
402 IOL 0.9055
403 OVV 0.9055
404 25W 0.9054
405 2PC 0.9054
406 5KX 0.9054
407 3BZ 0.9054
408 JZ6 0.9052
409 261 0.9052
410 PCA 0.9052
411 BYZ 0.9050
412 JBN 0.9049
413 G6D 0.9048
414 1WD 0.9047
415 XQG 0.9046
416 IGA 0.9043
417 1AB 0.9042
418 BAM 0.9041
419 BP9 0.9040
420 AZG 0.9039
421 YH7 0.9038
422 9DG 0.9038
423 HBA 0.9037
424 NIO 0.9035
425 XAN 0.9033
426 EDG 0.9029
427 HX3 0.9029
428 PYZ 0.9029
429 290 0.9027
430 B20 0.9024
431 14J 0.9024
432 ES3 0.9023
433 BRT 0.9021
434 1XM 0.9020
435 0PY 0.9020
436 VNJ 0.9019
437 ZZT 0.9017
438 OXL 0.9016
439 FCA 0.9015
440 DBB 0.9011
441 A3B 0.9011
442 BOA 0.9010
443 GTQ 0.9010
444 JKE 0.9008
445 M1E 0.9007
446 141 0.9006
447 IT2 0.9002
448 9TY 0.9000
449 DIE 0.8999
450 BNZ 0.8997
451 CFP 0.8996
452 2RA 0.8994
453 IP0 0.8993
454 3SK 0.8993
455 270 0.8992
456 03W 0.8992
457 I3A 0.8990
458 ITN 0.8990
459 6GU 0.8989
460 Q88 0.8989
461 4SD 0.8989
462 DX4 0.8988
463 54G 0.8986
464 NPY 0.8986
465 5M0 0.8986
466 7HQ 0.8985
467 CRN 0.8982
468 F0J 0.8982
469 OAA 0.8979
470 1P3 0.8974
471 C21 0.8972
472 THR 0.8971
473 DCY 0.8969
474 HUI 0.8969
475 AX7 0.8968
476 CIZ 0.8968
477 7WV 0.8963
478 PYR 0.8963
479 6CS 0.8962
480 P1R 0.8960
481 DAB 0.8959
482 7WG 0.8958
483 UNU 0.8957
484 CP 0.8957
485 NTN 0.8956
486 9YL 0.8954
487 OXD 0.8954
488 SMB 0.8950
489 ABE 0.8950
490 24B 0.8950
491 ALO 0.8949
492 HMU 0.8949
493 SMV 0.8948
494 4VP 0.8946
495 LMR 0.8944
496 OXM 0.8944
497 URQ 0.8944
498 2OP 0.8942
499 5MK 0.8942
500 2XX 0.8941
501 42A 0.8939
502 HH5 0.8939
503 HGY 0.8938
504 AC0 0.8934
505 DPR 0.8934
506 M58 0.8933
507 RM1 0.8932
508 PHZ 0.8929
509 2MI 0.8928
510 NOJ 0.8928
511 FCB 0.8925
512 SX1 0.8925
513 V55 0.8925
514 KYD 0.8922
515 TFB 0.8921
516 HSE 0.8919
517 4HM 0.8918
518 6SP 0.8918
519 DAL 0.8917
520 4JL 0.8916
521 IMR 0.8915
522 51F 0.8914
523 CWM 0.8913
524 3MA 0.8913
525 ADK 0.8913
526 IHG 0.8911
527 R1X 0.8909
528 PHB 0.8909
529 QSC 0.8909
530 ES0 0.8908
531 GXV 0.8907
532 P92 0.8902
533 1AC 0.8902
534 192 0.8900
535 0CU 0.8899
536 9TZ 0.8899
537 PRS 0.8897
538 2EZ 0.8894
539 FAN 0.8893
540 DTU 0.8892
541 URP 0.8890
542 FLA 0.8888
543 FP1 0.8888
544 GYE 0.8886
545 LAC 0.8886
546 ABV 0.8884
547 LZM 0.8884
548 SS1 0.8882
549 8H8 0.8882
550 HIO 0.8881
551 1XN 0.8880
552 KPL 0.8878
553 4M4 0.8877
554 TMH 0.8876
555 SS2 0.8876
556 TH7 0.8870
557 M1A 0.8870
558 PYM 0.8870
559 GIO 0.8869
560 SGL 0.8868
561 1P7 0.8868
562 NAK 0.8867
563 JBK 0.8865
564 ALA 0.8864
565 G2F 0.8863
566 PRI 0.8861
567 UGC 0.8861
568 MRY 0.8859
569 PBC 0.8859
570 G4D 0.8857
571 3F0 0.8855
572 PAE 0.8855
573 RSO 0.8854
574 3M0 0.8853
575 3OC 0.8852
576 C2N 0.8847
577 5B1 0.8845
578 PAF 0.8844
579 MAE 0.8844
580 HCS 0.8843
581 39J 0.8841
582 N5J 0.8840
583 UY7 0.8838
584 69O 0.8838
585 ADZ 0.8838
586 NVA 0.8835
587 PEA 0.8835
588 OVM 0.8833
589 XXR 0.8828
590 6LW 0.8827
591 2CK 0.8827
592 FQI 0.8827
593 5OB 0.8827
594 3DM 0.8823
595 DBH 0.8819
596 3HA 0.8819
597 3MB 0.8817
598 JPZ 0.8816
599 BAE 0.8816
600 1SQ 0.8812
601 1LQ 0.8812
602 GOO 0.8810
603 7B4 0.8809
604 5IQ 0.8809
605 5Q0 0.8809
606 TLA 0.8808
607 ES1 0.8807
608 EUG 0.8806
609 RUU 0.8805
610 1LM 0.8804
611 JBH 0.8803
612 4YS 0.8802
613 BNS 0.8801
614 1NP 0.8800
615 NCM 0.8799
616 BCP 0.8799
617 HZP 0.8799
618 3ZS 0.8797
619 DOR 0.8797
620 4JM 0.8796
621 H8N 0.8795
622 BUO 0.8793
623 O72 0.8793
624 5SG 0.8785
625 SSN 0.8783
626 1SP 0.8783
627 HQY 0.8780
628 NIS 0.8776
629 OXC 0.8774
630 FRU 0.8774
631 3DO 0.8773
632 II6 0.8773
633 32O 0.8773
634 JFJ 0.8771
635 RM4 0.8771
636 FBA 0.8770
637 BSX 0.8769
638 24W 0.8769
639 BZ3 0.8767
640 TZE 0.8765
641 DGJ 0.8765
642 NSP 0.8764
643 RAM 0.8763
644 C2B 0.8763
645 MFB 0.8763
646 ASN 0.8763
647 ORO 0.8763
648 JB5 0.8762
649 2ZV 0.8759
650 XBT 0.8759
651 HH8 0.8756
652 40E 0.8755
653 DTT 0.8746
654 67N 0.8746
655 HYP 0.8745
656 NXA 0.8745
657 RNS 0.8744
658 XUL 0.8744
659 5Y9 0.8743
660 MAN 0.8739
661 MMU 0.8738
662 82I 0.8738
663 717 0.8738
664 3OH 0.8737
665 FPK 0.8733
666 7W4 0.8733
667 IFL 0.8733
668 MRZ 0.8731
669 COU 0.8729
670 4XH 0.8729
671 5CU 0.8729
672 5NU 0.8729
673 4FS 0.8723
674 SAR 0.8722
675 BAL 0.8722
676 PBE 0.8720
677 TIU 0.8717
678 ISN 0.8714
679 6F0 0.8712
680 2AQ 0.8712
681 XM0 0.8712
682 9X6 0.8712
683 GAL 0.8711
684 HSM 0.8711
685 ES5 0.8711
686 XQ0 0.8710
687 MEU 0.8709
688 GRE 0.8707
689 CEE 0.8707
690 2LP 0.8706
691 F5B 0.8706
692 03V 0.8702
693 34D 0.8701
694 ASO 0.8700
695 IQ0 0.8700
696 H42 0.8700
697 IPZ 0.8699
698 AKB 0.8695
699 5WV 0.8694
700 BHA 0.8693
701 DHB 0.8693
702 DYA 0.8692
703 ET2 0.8691
704 JZ7 0.8690
705 HHA 0.8690
706 DOB 0.8690
707 D1X 0.8687
708 DMD 0.8686
709 7NI 0.8686
710 PEL 0.8684
711 JZ4 0.8682
712 QWN 0.8682
713 MR1 0.8681
714 4M0 0.8680
715 TB6 0.8680
716 XRG 0.8678
717 4NC 0.8678
718 5VM 0.8676
719 FA0 0.8675
720 BHO 0.8672
721 EQT 0.8671
722 260 0.8670
723 42C 0.8670
724 TEO 0.8670
725 LRH 0.8670
726 QXW 0.8669
727 KKN 0.8669
728 9MG 0.8667
729 3ID 0.8665
730 1P8 0.8663
731 98J 0.8662
732 CSS 0.8661
733 1LN 0.8661
734 AW5 0.8658
735 FUB 0.8657
736 OCH 0.8653
737 36R 0.8651
738 NPO 0.8650
739 OW4 0.8649
740 SNE 0.8649
741 IF7 0.8648
742 1DQ 0.8645
743 EGD 0.8645
744 RB5 0.8644
745 VGD 0.8641
746 XCZ 0.8640
747 T2C 0.8639
748 2D0 0.8639
749 SJ5 0.8638
750 ES7 0.8637
751 NOY 0.8633
752 2AL 0.8629
753 ES2 0.8627
754 3HM 0.8625
755 F9Y 0.8624
756 DMJ 0.8622
757 Q6T 0.8620
758 G5V 0.8618
759 B53 0.8617
760 MYJ 0.8613
761 MNM 0.8612
762 4A3 0.8609
763 SR1 0.8609
764 NNO 0.8607
765 B55 0.8606
766 PKU 0.8604
767 BUA 0.8603
768 51R 0.8598
769 93K 0.8596
770 P9P 0.8596
771 C2U 0.8593
772 INO 0.8591
773 HY1 0.8591
774 PRY 0.8590
775 UNC 0.8589
776 ILE 0.8588
777 LCN 0.8588
778 2HO 0.8584
779 6JN 0.8581
780 SF9 0.8580
781 FHB 0.8577
782 FOT 0.8577
783 271 0.8575
784 6M1 0.8568
785 ZBT 0.8567
786 EV0 0.8564
787 DAS 0.8553
788 5RN 0.8552
789 JLZ 0.8551
790 AS3 0.8550
791 8EZ 0.8540
792 5JL 0.8531
793 BTY 0.8529
794 HXX 0.8518
795 FDB 0.8511
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
APoc FAQ
Feedback