Receptor
PDB id Resolution Class Description Source Keywords
2AS2 1.45 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE IN COMPLEX WITH 2-IMINOPIPERIDINE SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE PEROXIDASE MODEL BINDING SITE
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
2IM A:500;
 Valid;
 none;
 submit data
98.146 C5 H10 N2 C1CCN...
HEM A:400;
 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: 2IM; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 2IM 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 2IM; Similar ligands found: 604
No: Ligand Similarity coefficient
1 IPH 1.0000
2 7EX 1.0000
3 L60 1.0000
4 V1L 1.0000
5 HAI 1.0000
6 9PO 1.0000
7 CXL 1.0000
8 HVK 1.0000
9 HRZ 1.0000
10 MBN 1.0000
11 A2Q 1.0000
12 WOT 1.0000
13 CYH 1.0000
14 4AP 1.0000
15 2AP 0.9999
16 3AP 0.9995
17 LGA 0.9965
18 93B 0.9948
19 8CL 0.9946
20 GXE 0.9943
21 1CB 0.9868
22 BAQ 0.9853
23 TTO 0.9846
24 6SP 0.9842
25 ATQ 0.9830
26 ECE 0.9795
27 CEJ 0.9792
28 HHN 0.9783
29 2MH 0.9776
30 4JU 0.9776
31 SYN 0.9774
32 URA 0.9769
33 NBE 0.9752
34 ICC 0.9749
35 3MT 0.9739
36 PIH 0.9733
37 26D 0.9733
38 HQE 0.9732
39 AMT 0.9729
40 282 0.9716
41 GBL 0.9716
42 HPY 0.9716
43 PLQ 0.9698
44 MZY 0.9696
45 HBX 0.9696
46 KSW 0.9693
47 HYN 0.9692
48 APY 0.9681
49 RCO 0.9679
50 PCR 0.9677
51 MB3 0.9672
52 HGW 0.9669
53 3TR 0.9664
54 24T 0.9663
55 FPN 0.9661
56 CRS 0.9659
57 PXY 0.9657
58 DA1 0.9651
59 DUC 0.9650
60 25T 0.9649
61 CIG 0.9649
62 HSL 0.9647
63 3ZS 0.9644
64 2KT 0.9639
65 NVI 0.9626
66 IDH 0.9621
67 ABN 0.9619
68 4CH 0.9618
69 MR3 0.9617
70 HGQ 0.9617
71 1MR 0.9617
72 CYT 0.9616
73 LG3 0.9615
74 B3R 0.9611
75 BML 0.9611
76 4DX 0.9611
77 H3M 0.9609
78 B24 0.9604
79 4JN 0.9603
80 LG4 0.9601
81 PYJ 0.9599
82 M3T 0.9596
83 TMZ 0.9596
84 25R 0.9596
85 PYF 0.9595
86 PY7 0.9595
87 HOW 0.9593
88 DXX 0.9590
89 AMC 0.9584
90 4XX 0.9582
91 LG5 0.9582
92 BVF 0.9572
93 8GF 0.9572
94 IOL 0.9567
95 3CH 0.9565
96 2AI 0.9563
97 MLA 0.9563
98 DTI 0.9561
99 1AN 0.9561
100 284 0.9559
101 2MZ 0.9558
102 XIX 0.9558
103 DGY 0.9558
104 1MZ 0.9557
105 BNZ 0.9557
106 FPI 0.9554
107 4MZ 0.9549
108 9CL 0.9542
109 2RA 0.9541
110 1DH 0.9541
111 MMZ 0.9541
112 HEW 0.9539
113 B20 0.9538
114 285 0.9533
115 DSN 0.9529
116 2CH 0.9528
117 BVC 0.9525
118 MZ0 0.9523
119 TMT 0.9519
120 BEW 0.9519
121 E60 0.9517
122 MLI 0.9517
123 93Q 0.9515
124 5KX 0.9515
125 SER 0.9514
126 DBB 0.9511
127 A3B 0.9511
128 92Z 0.9511
129 3PY 0.9507
130 03W 0.9506
131 HVQ 0.9503
132 J1Z 0.9503
133 4HS 0.9502
134 RP7 0.9500
135 HIU 0.9500
136 SMB 0.9499
137 PHZ 0.9499
138 FP2 0.9498
139 DMG 0.9495
140 JZ6 0.9494
141 8LG 0.9491
142 938 0.9491
143 4H2 0.9482
144 CAQ 0.9479
145 BVG 0.9478
146 4AX 0.9471
147 KG7 0.9466
148 HTS 0.9466
149 2AF 0.9464
150 MLM 0.9461
151 3ZQ 0.9457
152 76X 0.9457
153 0PY 0.9456
154 L89 0.9456
155 HUI 0.9455
156 PRI 0.9447
157 6X8 0.9443
158 HHQ 0.9436
159 ES3 0.9427
160 280 0.9427
161 P1R 0.9422
162 2EZ 0.9421
163 JZ3 0.9414
164 39J 0.9413
165 BYZ 0.9412
166 40O 0.9411
167 OXM 0.9410
168 OXE 0.9406
169 GOL 0.9399
170 MAK 0.9398
171 JZ0 0.9397
172 278 0.9397
173 XAP 0.9389
174 URF 0.9389
175 WBU 0.9389
176 3OH 0.9385
177 KIV 0.9382
178 GVH 0.9377
179 FLM 0.9376
180 0R1 0.9371
181 CYS 0.9370
182 DMI 0.9370
183 3MC 0.9369
184 DE2 0.9368
185 6MH 0.9367
186 HGY 0.9365
187 4JP 0.9362
188 IDM 0.9360
189 BZF 0.9359
190 BU4 0.9357
191 2MY 0.9354
192 PYG 0.9354
193 0CT 0.9353
194 PYR 0.9352
195 ALO 0.9347
196 IND 0.9347
197 OXL 0.9347
198 SAR 0.9346
199 1AC 0.9345
200 MPI 0.9344
201 C5J 0.9342
202 TDR 0.9342
203 BZI 0.9341
204 2CM 0.9339
205 4HO 0.9338
206 LAC 0.9338
207 1MC 0.9337
208 FPY 0.9334
209 DUB 0.9332
210 BAL 0.9332
211 R8A 0.9328
212 DEN 0.9327
213 A1U 0.9327
214 THR 0.9322
215 3FA 0.9322
216 4ZE 0.9320
217 BUA 0.9319
218 LZ1 0.9319
219 3MH 0.9316
220 TH0 0.9312
221 R1X 0.9311
222 R2B 0.9311
223 MBD 0.9311
224 NK 0.9309
225 JZ1 0.9309
226 2OP 0.9309
227 FFP 0.9305
228 TM4 0.9304
229 MCT 0.9303
230 3CE 0.9303
231 MWM 0.9302
232 OXD 0.9302
233 IMR 0.9301
234 ICP 0.9300
235 PYD 0.9300
236 GMN 0.9299
237 VAL 0.9296
238 275 0.9295
239 286 0.9294
240 ABA 0.9293
241 JZ9 0.9293
242 2MP 0.9291
243 2PC 0.9290
244 2AC 0.9290
245 2YU 0.9289
246 23W 0.9286
247 EDG 0.9286
248 PYZ 0.9282
249 2C9 0.9278
250 1AB 0.9276
251 4CL 0.9263
252 XYD 0.9261
253 BUO 0.9255
254 DAB 0.9254
255 XYS 0.9253
256 C2N 0.9253
257 PRO 0.9251
258 FW5 0.9251
259 34A 0.9247
260 DAL 0.9245
261 94N 0.9245
262 1XX 0.9244
263 JZ2 0.9240
264 4JJ 0.9240
265 XBZ 0.9238
266 PRS 0.9238
267 BR9 0.9237
268 SIN 0.9236
269 DCY 0.9231
270 BEZ 0.9230
271 NBZ 0.9230
272 IUR 0.9230
273 YAN 0.9230
274 4JO 0.9228
275 HBS 0.9227
276 MRY 0.9224
277 5UC 0.9224
278 BUQ 0.9224
279 BEN 0.9223
280 ALA 0.9223
281 27Y 0.9221
282 HBA 0.9218
283 HT4 0.9217
284 5MH 0.9214
285 0TR 0.9212
286 OXQ 0.9208
287 FOA 0.9207
288 HBR 0.9204
289 HY3 0.9203
290 GBD 0.9203
291 PYM 0.9199
292 SSN 0.9196
293 RSF 0.9190
294 NAK 0.9190
295 XYP 0.9189
296 6UA 0.9188
297 P2D 0.9185
298 0R0 0.9185
299 9X7 0.9184
300 NIS 0.9182
301 SMV 0.9182
302 MEU 0.9181
303 LER 0.9180
304 NCA 0.9180
305 BP9 0.9179
306 AOA 0.9178
307 1PT 0.9178
308 AKB 0.9177
309 LDU 0.9176
310 MWJ 0.9175
311 DTL 0.9175
312 YHO 0.9174
313 NIO 0.9172
314 7CZ 0.9171
315 5JC 0.9170
316 MLT 0.9165
317 43M 0.9162
318 SGL 0.9159
319 SS2 0.9154
320 273 0.9154
321 PZA 0.9153
322 PYC 0.9152
323 MMU 0.9150
324 OHG 0.9149
325 BAM 0.9148
326 265 0.9148
327 TM7 0.9147
328 TFB 0.9140
329 13X 0.9138
330 3BB 0.9135
331 WDL 0.9135
332 3HL 0.9133
333 HDA 0.9126
334 AAE 0.9122
335 3AY 0.9121
336 JBN 0.9120
337 HSE 0.9117
338 5MP 0.9117
339 6PC 0.9117
340 4VP 0.9115
341 BMD 0.9114
342 AC0 0.9113
343 1DU 0.9112
344 AX2 0.9112
345 ALQ 0.9111
346 GOA 0.9110
347 TP5 0.9109
348 OAA 0.9107
349 QOS 0.9106
350 Y8I 0.9105
351 UNU 0.9103
352 3GR 0.9100
353 DPR 0.9099
354 5AN 0.9098
355 2HA 0.9094
356 192 0.9089
357 2DR 0.9088
358 5Y9 0.9086
359 ERH 0.9085
360 NEQ 0.9085
361 FLA 0.9085
362 JZ5 0.9083
363 MAE 0.9081
364 C2A 0.9079
365 5ZE 0.9079
366 NTN 0.9076
367 SS1 0.9075
368 GAG 0.9075
369 C21 0.9073
370 YCP 0.9073
371 IQ0 0.9071
372 NCM 0.9070
373 2ZX 0.9069
374 IVA 0.9065
375 5AC 0.9064
376 VGL 0.9062
377 HPA 0.9061
378 ADE 0.9060
379 TZC 0.9056
380 ARA 0.9051
381 MZG 0.9051
382 9TY 0.9046
383 BR8 0.9045
384 64K 0.9044
385 QSC 0.9042
386 0MK 0.9034
387 RIP 0.9030
388 LXC 0.9029
389 JAB 0.9026
390 M58 0.9025
391 4JL 0.9024
392 7WA 0.9023
393 TLD 0.9023
394 IFM 0.9022
395 PBC 0.9019
396 ASN 0.9018
397 CP 0.9018
398 9DA 0.9017
399 O7U 0.9015
400 3HR 0.9014
401 9HX 0.9014
402 FAH 0.8999
403 9YL 0.8998
404 FBA 0.8997
405 MTG 0.8997
406 60P 0.8996
407 BP1 0.8996
408 6MP 0.8995
409 JZ7 0.8992
410 OXZ 0.8992
411 PAE 0.8990
412 7MH 0.8990
413 10L 0.8989
414 IT2 0.8989
415 DFB 0.8988
416 69O 0.8987
417 MRZ 0.8987
418 GLY 0.8985
419 ASP 0.8982
420 T2C 0.8981
421 BTE 0.8979
422 GLV 0.8978
423 AZF 0.8976
424 SWD 0.8972
425 D2P 0.8971
426 HAE 0.8969
427 RIB 0.8969
428 C2B 0.8967
429 JIF 0.8964
430 TF4 0.8964
431 BAE 0.8962
432 DFU 0.8960
433 98J 0.8959
434 7HP 0.8959
435 CIZ 0.8955
436 HCS 0.8954
437 MZW 0.8953
438 PPI 0.8952
439 GXV 0.8949
440 4JM 0.8948
441 CHT 0.8947
442 AHR 0.8945
443 NIE 0.8941
444 ES4 0.8940
445 PCA 0.8939
446 TCZ 0.8938
447 ARB 0.8938
448 ABE 0.8937
449 23A 0.8936
450 RSO 0.8928
451 F3V 0.8925
452 PM6 0.8920
453 Z6J 0.8920
454 BNS 0.8917
455 NVA 0.8916
456 LMR 0.8912
457 FJO 0.8908
458 47J 0.8907
459 R3W 0.8902
460 SLP 0.8900
461 HVB 0.8899
462 SAL 0.8898
463 SEJ 0.8898
464 3U4 0.8897
465 KOJ 0.8894
466 AGK 0.8892
467 H8N 0.8891
468 4XR 0.8886
469 CEE 0.8885
470 DTU 0.8884
471 F81 0.8883
472 ITU 0.8882
473 T6C 0.8881
474 FUF 0.8881
475 AKR 0.8879
476 2HE 0.8878
477 TAU 0.8869
478 FUB 0.8869
479 8X3 0.8868
480 F50 0.8863
481 51F 0.8860
482 32O 0.8858
483 BE2 0.8857
484 2MI 0.8856
485 270 0.8854
486 ITN 0.8854
487 GIF 0.8850
488 AX7 0.8849
489 DTT 0.8846
490 IP0 0.8843
491 NHY 0.8840
492 6HQ 0.8839
493 AGU 0.8839
494 VNJ 0.8831
495 HY1 0.8825
496 P3K 0.8825
497 CRN 0.8824
498 HSM 0.8824
499 271 0.8822
500 JBE 0.8819
501 PXO 0.8814
502 3XX 0.8812
503 PEA 0.8812
504 RUU 0.8811
505 YTB 0.8810
506 PEL 0.8809
507 NMU 0.8809
508 PPF 0.8807
509 TB6 0.8805
510 FAN 0.8804
511 61G 0.8801
512 2XX 0.8800
513 260 0.8796
514 CSS 0.8794
515 DCD 0.8794
516 2A1 0.8787
517 8NY 0.8785
518 ATO 0.8783
519 BZX 0.8778
520 ICN 0.8778
521 3SK 0.8777
522 FUC 0.8776
523 TSZ 0.8775
524 HZP 0.8774
525 URP 0.8771
526 FUL 0.8770
527 HMH 0.8770
528 PHB 0.8770
529 ES9 0.8766
530 PAF 0.8764
531 F05 0.8763
532 PBE 0.8761
533 FYU 0.8760
534 9EW 0.8757
535 HV2 0.8753
536 1DQ 0.8751
537 4SV 0.8748
538 NMJ 0.8746
539 ES6 0.8744
540 BXA 0.8740
541 FCN 0.8740
542 CXF 0.8738
543 HYP 0.8738
544 3Z7 0.8737
545 L3Q 0.8734
546 POA 0.8732
547 24B 0.8732
548 JKE 0.8726
549 ODV 0.8725
550 TAY 0.8725
551 1WD 0.8724
552 40E 0.8724
553 TZE 0.8722
554 J3K 0.8716
555 FCA 0.8715
556 PZO 0.8713
557 NSP 0.8700
558 9A4 0.8698
559 TBP 0.8697
560 PAV 0.8689
561 2CK 0.8689
562 HMU 0.8688
563 3CL 0.8682
564 XPO 0.8680
565 ZZT 0.8679
566 H76 0.8677
567 MGX 0.8673
568 14J 0.8671
569 6M4 0.8671
570 261 0.8671
571 HX3 0.8670
572 KYD 0.8668
573 PUT 0.8667
574 HUH 0.8663
575 UY7 0.8659
576 ZZ3 0.8658
577 ETF 0.8658
578 TH7 0.8656
579 UGC 0.8648
580 3NT 0.8641
581 S0H 0.8632
582 IHG 0.8631
583 7VD 0.8626
584 TAR 0.8624
585 ALF 0.8623
586 HLT 0.8622
587 IMD 0.8621
588 4CS 0.8616
589 8H8 0.8607
590 UYA 0.8604
591 BTL 0.8602
592 NPO 0.8595
593 GAB 0.8589
594 8GC 0.8587
595 PTO 0.8586
596 KPL 0.8576
597 JZ4 0.8574
598 FQI 0.8569
599 MSF 0.8566
600 AUD 0.8552
601 URQ 0.8547
602 53C 0.8535
603 CNH 0.8525
604 G2F 0.8518
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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