Receptor
PDB id Resolution Class Description Source Keywords
2EUU 1.45 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE (CCP) IN COMPLEX WITH 1H-IMIDAZOL-2- YLMETHANOL 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
BVG A:401;
 Valid;
 none;
 submit data
98.103 C4 H6 N2 O c1cnc...
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: BVG; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 BVG 1 1
2 2EZ 0.555556 0.633333
Similar Ligands (3D)
Ligand no: 1; Ligand: BVG; Similar ligands found: 618
No: Ligand Similarity coefficient
1 MZ0 1.0000
2 NVI 1.0000
3 HVQ 0.9899
4 BVC 0.9825
5 PRI 0.9812
6 HSM 0.9785
7 SYN 0.9730
8 1MR 0.9725
9 ABN 0.9711
10 JBN 0.9705
11 PYJ 0.9697
12 1DU 0.9692
13 APY 0.9674
14 282 0.9670
15 FOA 0.9661
16 PY7 0.9647
17 HBX 0.9647
18 NBE 0.9622
19 2KT 0.9618
20 9CL 0.9616
21 2PC 0.9614
22 B24 0.9606
23 4MZ 0.9600
24 MZY 0.9600
25 AMC 0.9592
26 5KX 0.9591
27 JZ6 0.9590
28 93B 0.9575
29 BYZ 0.9566
30 280 0.9565
31 IPH 0.9561
32 FPI 0.9556
33 1MZ 0.9556
34 5MP 0.9553
35 ES3 0.9551
36 2MZ 0.9549
37 MR3 0.9548
38 PYF 0.9547
39 A2Q 0.9541
40 PYZ 0.9540
41 278 0.9540
42 BAQ 0.9539
43 OHG 0.9538
44 BUA 0.9536
45 3PY 0.9530
46 273 0.9525
47 PRO 0.9523
48 MLI 0.9522
49 PIH 0.9520
50 HHN 0.9515
51 GBL 0.9514
52 3TR 0.9511
53 JZ5 0.9505
54 HOW 0.9504
55 GXE 0.9497
56 TFB 0.9497
57 1CB 0.9494
58 GOL 0.9488
59 8CL 0.9488
60 MBN 0.9486
61 PYC 0.9480
62 2IM 0.9478
63 3AP 0.9472
64 CXL 0.9470
65 DGY 0.9464
66 03W 0.9464
67 LGA 0.9464
68 2AI 0.9463
69 CYH 0.9463
70 6SP 0.9457
71 HAI 0.9454
72 WOT 0.9453
73 C5J 0.9452
74 TZC 0.9451
75 ATQ 0.9451
76 JAB 0.9449
77 4AP 0.9447
78 7EX 0.9444
79 SAR 0.9442
80 3OH 0.9441
81 HVK 0.9441
82 2AP 0.9440
83 MLA 0.9439
84 EGD 0.9434
85 HRZ 0.9433
86 V1L 0.9432
87 TTO 0.9425
88 CEJ 0.9422
89 5AC 0.9421
90 9X7 0.9420
91 HGW 0.9416
92 JZ7 0.9407
93 HIU 0.9406
94 SMV 0.9406
95 3MT 0.9405
96 XIX 0.9403
97 9PO 0.9401
98 BEN 0.9399
99 TP5 0.9397
100 H3M 0.9395
101 BEZ 0.9394
102 HUI 0.9391
103 L60 0.9390
104 DXX 0.9386
105 AMT 0.9380
106 BAL 0.9375
107 DPR 0.9373
108 AOA 0.9371
109 3HL 0.9365
110 9YL 0.9365
111 C21 0.9364
112 RSO 0.9360
113 SER 0.9351
114 69O 0.9350
115 NIO 0.9350
116 HYN 0.9344
117 DMG 0.9342
118 MRY 0.9340
119 FW5 0.9338
120 NCA 0.9337
121 E60 0.9331
122 6PC 0.9330
123 A3B 0.9327
124 BAM 0.9317
125 BP9 0.9312
126 DSN 0.9312
127 SMB 0.9309
128 SS2 0.9309
129 51F 0.9308
130 BU4 0.9307
131 BMD 0.9302
132 MLM 0.9298
133 NTN 0.9298
134 ABU 0.9298
135 MMZ 0.9296
136 DCY 0.9295
137 C2N 0.9289
138 25T 0.9288
139 ABA 0.9286
140 265 0.9284
141 KG7 0.9282
142 AC0 0.9279
143 XAP 0.9279
144 OXL 0.9274
145 M58 0.9271
146 4JU 0.9270
147 LEA 0.9270
148 THR 0.9269
149 4HA 0.9268
150 3GR 0.9268
151 PRS 0.9267
152 VGL 0.9267
153 IQ0 0.9265
154 26D 0.9264
155 PZA 0.9264
156 39J 0.9262
157 DE2 0.9262
158 BUQ 0.9261
159 URA 0.9260
160 1DH 0.9260
161 QSC 0.9259
162 SLP 0.9258
163 24T 0.9253
164 CYS 0.9248
165 AAE 0.9248
166 J1Z 0.9248
167 SSN 0.9245
168 TZE 0.9242
169 PCA 0.9240
170 2HA 0.9234
171 1DQ 0.9232
172 BXO 0.9231
173 BNS 0.9225
174 3HR 0.9222
175 271 0.9220
176 P2D 0.9217
177 HBA 0.9216
178 NBZ 0.9214
179 UNU 0.9213
180 HQE 0.9210
181 MMU 0.9210
182 PCR 0.9210
183 HCS 0.9209
184 HSE 0.9209
185 FJO 0.9206
186 R2B 0.9199
187 R1X 0.9199
188 HY1 0.9199
189 CRS 0.9198
190 PBC 0.9197
191 MSF 0.9197
192 CHT 0.9192
193 285 0.9192
194 PLQ 0.9190
195 7WG 0.9188
196 1AB 0.9185
197 EDG 0.9185
198 VAL 0.9184
199 MEU 0.9184
200 25R 0.9184
201 LDU 0.9181
202 GLY 0.9180
203 LG4 0.9178
204 DA1 0.9174
205 SS1 0.9174
206 DAB 0.9173
207 ALO 0.9172
208 1SP 0.9172
209 4AX 0.9172
210 PEA 0.9171
211 HYP 0.9171
212 2MH 0.9170
213 HGQ 0.9169
214 IMR 0.9168
215 4CH 0.9168
216 ITU 0.9167
217 BML 0.9160
218 GAG 0.9159
219 286 0.9159
220 IT2 0.9158
221 23W 0.9158
222 192 0.9157
223 DTL 0.9157
224 R8A 0.9154
225 FPN 0.9150
226 MTG 0.9150
227 MB3 0.9149
228 PEL 0.9147
229 DEN 0.9147
230 KIV 0.9146
231 ECE 0.9145
232 PXY 0.9145
233 2RA 0.9137
234 KSW 0.9137
235 URF 0.9134
236 UY7 0.9132
237 LER 0.9128
238 284 0.9126
239 HDA 0.9125
240 YCP 0.9122
241 RCO 0.9119
242 T2C 0.9115
243 CEE 0.9114
244 HSL 0.9113
245 4JL 0.9110
246 PPI 0.9110
247 BUB 0.9107
248 DBB 0.9105
249 3ZS 0.9104
250 FAH 0.9100
251 CYT 0.9098
252 OXQ 0.9098
253 NVA 0.9095
254 DUC 0.9094
255 SGL 0.9094
256 14J 0.9094
257 NK 0.9093
258 4JN 0.9092
259 BVF 0.9092
260 HPY 0.9091
261 C2A 0.9091
262 4HS 0.9091
263 MRZ 0.9088
264 MZW 0.9083
265 ETX 0.9082
266 CP 0.9081
267 LG3 0.9079
268 R3W 0.9079
269 HY3 0.9077
270 1AC 0.9076
271 RP7 0.9074
272 CIG 0.9073
273 FBJ 0.9073
274 FBA 0.9066
275 MAK 0.9066
276 IDM 0.9064
277 LG5 0.9063
278 1PT 0.9063
279 JZ3 0.9062
280 4VP 0.9061
281 3CH 0.9060
282 C2B 0.9059
283 HZP 0.9057
284 ICC 0.9057
285 JZ1 0.9057
286 BTL 0.9056
287 ETM 0.9056
288 IVA 0.9056
289 BE7 0.9053
290 JZ9 0.9048
291 HEW 0.9044
292 8GF 0.9043
293 DMI 0.9040
294 GVH 0.9032
295 LAC 0.9029
296 AKB 0.9028
297 IOL 0.9027
298 HV2 0.9025
299 OAA 0.9024
300 RSF 0.9024
301 OXM 0.9020
302 BZF 0.9020
303 M6W 0.9018
304 FPY 0.9017
305 OXD 0.9013
306 4XX 0.9010
307 LZ1 0.9010
308 IND 0.9010
309 PUT 0.9009
310 IHG 0.9009
311 GLV 0.9005
312 4H2 0.9002
313 4JM 0.9002
314 2DR 0.9002
315 M3T 0.9000
316 MPI 0.9000
317 0CT 0.9000
318 NIE 0.9000
319 0R1 0.8998
320 GBD 0.8997
321 NEQ 0.8995
322 SIN 0.8992
323 FUM 0.8992
324 XBT 0.8992
325 40E 0.8991
326 BZI 0.8990
327 AKR 0.8989
328 PYR 0.8988
329 FAN 0.8988
330 IDH 0.8987
331 GOA 0.8986
332 47J 0.8983
333 B3R 0.8980
334 TMZ 0.8974
335 ZBT 0.8967
336 TZL 0.8967
337 CRN 0.8967
338 S0H 0.8964
339 MAE 0.8964
340 AHR 0.8962
341 BXA 0.8960
342 1MC 0.8960
343 GXV 0.8959
344 HHQ 0.8954
345 AC5 0.8952
346 PXO 0.8951
347 TAU 0.8951
348 MCT 0.8950
349 WBU 0.8949
350 8X3 0.8947
351 NCM 0.8943
352 DTI 0.8943
353 PBE 0.8942
354 SAT 0.8942
355 4HO 0.8940
356 NMG 0.8938
357 0R0 0.8938
358 PAE 0.8936
359 F3V 0.8934
360 40O 0.8933
361 BEW 0.8933
362 NMU 0.8933
363 60P 0.8928
364 2HE 0.8923
365 IPU 0.8916
366 HVB 0.8916
367 ISU 0.8915
368 DTU 0.8914
369 EFS 0.8911
370 2CH 0.8910
371 TDR 0.8907
372 4JP 0.8904
373 RIB 0.8903
374 IZC 0.8901
375 275 0.8897
376 TMT 0.8894
377 3BB 0.8894
378 PYM 0.8892
379 NAK 0.8891
380 Z82 0.8890
381 CAQ 0.8888
382 8LG 0.8888
383 1AN 0.8888
384 OK7 0.8888
385 NMJ 0.8887
386 4CL 0.8887
387 2AC 0.8886
388 MPD 0.8886
389 9A4 0.8886
390 ALA 0.8886
391 93Q 0.8882
392 DCL 0.8882
393 CXF 0.8881
394 HAE 0.8880
395 2OP 0.8880
396 938 0.8880
397 ILE 0.8879
398 XPO 0.8878
399 HX2 0.8875
400 FLA 0.8874
401 MWM 0.8873
402 ASN 0.8873
403 PHB 0.8871
404 ETF 0.8871
405 YHO 0.8868
406 F50 0.8867
407 HBS 0.8864
408 ISZ 0.8863
409 THE 0.8861
410 OPE 0.8857
411 BAE 0.8856
412 6X8 0.8853
413 3U4 0.8853
414 1BP 0.8852
415 D2P 0.8850
416 4ZE 0.8850
417 A1U 0.8847
418 SAL 0.8846
419 HTS 0.8844
420 DAL 0.8844
421 4JJ 0.8843
422 TH0 0.8840
423 3CL 0.8836
424 BR9 0.8836
425 ICP 0.8836
426 FP2 0.8831
427 2LP 0.8830
428 HBR 0.8829
429 CFI 0.8828
430 ASP 0.8827
431 FP1 0.8826
432 54D 0.8825
433 34A 0.8821
434 HGY 0.8821
435 CSS 0.8821
436 MLT 0.8818
437 MTD 0.8817
438 LMR 0.8815
439 XBZ 0.8815
440 ITN 0.8815
441 NHY 0.8814
442 MGX 0.8811
443 XYD 0.8810
444 COI 0.8807
445 2MP 0.8807
446 CIZ 0.8807
447 27Y 0.8800
448 HT4 0.8800
449 H8N 0.8800
450 I1E 0.8799
451 RUU 0.8798
452 COM 0.8796
453 1LN 0.8795
454 VNJ 0.8795
455 4XR 0.8792
456 NIZ 0.8792
457 VAH 0.8791
458 2YU 0.8790
459 TM7 0.8790
460 5MH 0.8790
461 ALQ 0.8789
462 KOJ 0.8788
463 92Z 0.8788
464 8GC 0.8788
465 JZ2 0.8787
466 IOM 0.8787
467 3ZQ 0.8785
468 JKE 0.8783
469 3SK 0.8783
470 4MV 0.8783
471 BUO 0.8782
472 OXE 0.8781
473 NXA 0.8779
474 DTT 0.8778
475 5UC 0.8775
476 FCN 0.8775
477 4CS 0.8774
478 Z6J 0.8774
479 AGU 0.8771
480 MZG 0.8770
481 FUB 0.8767
482 UGC 0.8767
483 NPO 0.8766
484 FQI 0.8765
485 ICN 0.8764
486 0PY 0.8761
487 L89 0.8760
488 SNE 0.8759
489 CRD 0.8757
490 PMB 0.8757
491 ATO 0.8755
492 1DV 0.8755
493 BE2 0.8754
494 2A1 0.8753
495 CMS 0.8751
496 SPA 0.8751
497 DAS 0.8751
498 ES6 0.8750
499 2XX 0.8749
500 9SB 0.8748
501 UYA 0.8748
502 O7U 0.8747
503 IP0 0.8746
504 AGK 0.8746
505 QY9 0.8745
506 VX 0.8745
507 P1R 0.8742
508 BZX 0.8741
509 P7I 0.8741
510 BNZ 0.8740
511 2AF 0.8738
512 4JO 0.8738
513 5Y9 0.8734
514 FEH 0.8734
515 5JC 0.8732
516 76X 0.8730
517 TEO 0.8730
518 MXN 0.8727
519 B20 0.8725
520 TSZ 0.8722
521 PAB 0.8721
522 JZ0 0.8720
523 J3K 0.8719
524 H95 0.8716
525 4SV 0.8715
526 1XX 0.8714
527 GAB 0.8714
528 BHO 0.8713
529 TLA 0.8711
530 NIS 0.8711
531 YAN 0.8710
532 LEU 0.8709
533 IFM 0.8708
534 7WV 0.8708
535 JYD 0.8708
536 PZI 0.8707
537 7VD 0.8706
538 43M 0.8705
539 POA 0.8702
540 P72 0.8702
541 OVV 0.8692
542 1WD 0.8692
543 IUR 0.8690
544 URP 0.8689
545 PGA 0.8688
546 AZF 0.8687
547 CNH 0.8687
548 DFB 0.8686
549 ODV 0.8683
550 GIF 0.8678
551 MNN 0.8674
552 PHZ 0.8673
553 TB6 0.8673
554 53C 0.8671
555 AC6 0.8670
556 7N0 0.8669
557 HMH 0.8667
558 1DJ 0.8667
559 PKU 0.8666
560 FB2 0.8665
561 3NT 0.8664
562 3MC 0.8663
563 TF4 0.8661
564 PYG 0.8661
565 270 0.8660
566 1Y6 0.8656
567 4MA 0.8651
568 Y8I 0.8650
569 KYD 0.8650
570 5MI 0.8650
571 3HB 0.8643
572 2CK 0.8642
573 3XX 0.8640
574 5H1 0.8640
575 AX7 0.8640
576 3AB 0.8635
577 BSX 0.8634
578 2K4 0.8632
579 PHU 0.8630
580 6M4 0.8629
581 717 0.8627
582 TAN 0.8626
583 ES9 0.8624
584 JZ4 0.8617
585 OXZ 0.8617
586 3BZ 0.8617
587 9A7 0.8615
588 2MI 0.8605
589 GLL 0.8604
590 PBZ 0.8602
591 RBJ 0.8598
592 6AI 0.8597
593 SW7 0.8594
594 5MB 0.8593
595 CP2 0.8590
596 XLS 0.8590
597 PPF 0.8589
598 98J 0.8587
599 HBD 0.8585
600 9TY 0.8585
601 XYP 0.8580
602 14O 0.8577
603 F60 0.8575
604 3MH 0.8573
605 ABV 0.8572
606 5HN 0.8572
607 BRT 0.8571
608 VSO 0.8566
609 MBD 0.8563
610 ZZ3 0.8560
611 11S 0.8559
612 ORN 0.8556
613 9EW 0.8550
614 HLT 0.8549
615 H76 0.8534
616 FK1 0.8530
617 I4B 0.8528
618 174 0.8515
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