Receptor
PDB id Resolution Class Description Source Keywords
1AEU 2.1 Å EC: 1.11.1.5 SPECIFICITY OF LIGAND BINDING IN A POLAR CAVITY OF CYTOCHROME C PEROXIDASE (2-METHYLIMIDAZOLE) SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE PEROXIDASE TRANSIT PEPTIDE
Ref.: A LIGAND-GATED, HINGED LOOP REARRANGEMENT OPENS A CHANNEL TO A BURIED ARTIFICIAL PROTEIN CAVITY. NAT.STRUCT.BIOL. V. 3 626 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2MZ A:296;
Valid;
none;
submit data
82.104 C4 H6 N2 Cc1[n...
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: 2MZ; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 2MZ 1 1
2 5KX 0.416667 0.625
3 2EZ 0.407407 0.809524
Similar Ligands (3D)
Ligand no: 1; Ligand: 2MZ; Similar ligands found: 351
No: Ligand Similarity coefficient
1 3TR 1.0000
2 HOW 1.0000
3 5MP 1.0000
4 JZ6 1.0000
5 1MZ 1.0000
6 MR3 1.0000
7 2AI 1.0000
8 MZY 1.0000
9 4MZ 1.0000
10 ES3 0.9981
11 BYZ 0.9969
12 PYZ 0.9926
13 GBL 0.9900
14 BAQ 0.9899
15 AMT 0.9898
16 3MT 0.9891
17 1CB 0.9883
18 MZ0 0.9824
19 LGA 0.9774
20 CYH 0.9772
21 3AP 0.9749
22 IPH 0.9746
23 4AP 0.9744
24 MBN 0.9738
25 3ZS 0.9738
26 HVK 0.9734
27 2AP 0.9734
28 A2Q 0.9728
29 GOL 0.9717
30 PIH 0.9716
31 HRZ 0.9712
32 WOT 0.9711
33 9PO 0.9711
34 V1L 0.9709
35 7EX 0.9692
36 ATQ 0.9690
37 NVI 0.9688
38 HHN 0.9686
39 XIX 0.9670
40 OXL 0.9666
41 8CL 0.9659
42 6SP 0.9652
43 GOA 0.9649
44 AKR 0.9649
45 HYN 0.9648
46 GXE 0.9642
47 GLV 0.9626
48 PYR 0.9618
49 HGW 0.9618
50 DMI 0.9614
51 CXL 0.9613
52 OXM 0.9611
53 MMZ 0.9610
54 HAI 0.9608
55 NIE 0.9599
56 PPI 0.9590
57 P1R 0.9582
58 GLY 0.9581
59 FAH 0.9576
60 0PY 0.9576
61 93B 0.9570
62 TTO 0.9570
63 NHY 0.9569
64 2KT 0.9568
65 NMU 0.9559
66 HSL 0.9558
67 2IM 0.9558
68 BVG 0.9549
69 PZO 0.9544
70 L60 0.9540
71 MGX 0.9539
72 BNZ 0.9532
73 HVB 0.9505
74 OXD 0.9503
75 B20 0.9498
76 HUH 0.9497
77 AGU 0.9495
78 LAC 0.9493
79 MMU 0.9492
80 F50 0.9487
81 IMD 0.9486
82 3OH 0.9474
83 HAE 0.9473
84 4AX 0.9463
85 24T 0.9462
86 25T 0.9459
87 R3W 0.9458
88 TRI 0.9454
89 MB3 0.9448
90 DGY 0.9448
91 E60 0.9446
92 NAK 0.9443
93 DAL 0.9433
94 KSW 0.9431
95 PHZ 0.9431
96 ALA 0.9427
97 BVC 0.9410
98 HGY 0.9397
99 MEU 0.9396
100 F3V 0.9395
101 CEJ 0.9394
102 PYM 0.9390
103 1DH 0.9387
104 HIU 0.9384
105 2A1 0.9383
106 CYS 0.9377
107 HVQ 0.9374
108 3PY 0.9365
109 2OP 0.9356
110 DXX 0.9347
111 BUO 0.9338
112 DTI 0.9336
113 BUA 0.9313
114 ATO 0.9309
115 DMG 0.9305
116 SER 0.9303
117 KG7 0.9286
118 SAR 0.9285
119 PXO 0.9282
120 BAL 0.9282
121 ETF 0.9273
122 282 0.9272
123 280 0.9269
124 C5J 0.9264
125 61G 0.9254
126 EGD 0.9254
127 DSN 0.9253
128 4XX 0.9247
129 2HA 0.9238
130 TSZ 0.9233
131 1BP 0.9211
132 HBX 0.9208
133 5Y9 0.9204
134 HPY 0.9199
135 FPI 0.9194
136 SYN 0.9183
137 MLI 0.9180
138 BXA 0.9179
139 PYF 0.9178
140 NIS 0.9178
141 26D 0.9177
142 DUC 0.9163
143 URA 0.9160
144 PY7 0.9152
145 NBE 0.9150
146 3GR 0.9150
147 MLA 0.9145
148 GXV 0.9142
149 H3M 0.9142
150 PRI 0.9140
151 8GF 0.9140
152 AMC 0.9135
153 MLM 0.9128
154 RCO 0.9125
155 CYT 0.9123
156 3ZQ 0.9123
157 PCR 0.9121
158 LG3 0.9120
159 278 0.9120
160 AOA 0.9118
161 APY 0.9114
162 25R 0.9113
163 ABA 0.9112
164 HQE 0.9111
165 HUI 0.9110
166 ABN 0.9106
167 TMT 0.9103
168 CRS 0.9102
169 3CH 0.9096
170 DA1 0.9095
171 4JU 0.9094
172 LG5 0.9093
173 LG4 0.9092
174 1AC 0.9092
175 285 0.9090
176 938 0.9086
177 TMZ 0.9084
178 93Q 0.9083
179 BVF 0.9082
180 4JN 0.9077
181 PXY 0.9076
182 TAN 0.9075
183 BRP 0.9068
184 CIG 0.9066
185 8LG 0.9058
186 HGQ 0.9055
187 CHT 0.9051
188 BML 0.9050
189 BMD 0.9050
190 A3B 0.9048
191 PLQ 0.9047
192 FPN 0.9043
193 ALQ 0.9040
194 03W 0.9040
195 BEW 0.9038
196 1MR 0.9036
197 L89 0.9033
198 FP2 0.9032
199 IOL 0.9031
200 HEW 0.9025
201 4HS 0.9024
202 M3T 0.9021
203 DCY 0.9019
204 40O 0.9018
205 1AN 0.9017
206 9CL 0.9017
207 4CH 0.9009
208 B3R 0.9008
209 CRD 0.9004
210 2MH 0.9000
211 PYJ 0.9000
212 HHQ 0.8997
213 284 0.8995
214 HBS 0.8993
215 P2D 0.8993
216 VAL 0.8992
217 CAQ 0.8992
218 J1Z 0.8992
219 JZ0 0.8991
220 FOA 0.8990
221 PYC 0.8985
222 SMB 0.8981
223 2CH 0.8978
224 XAP 0.8976
225 4H2 0.8972
226 CNH 0.8971
227 PRO 0.8966
228 HTS 0.8966
229 RP7 0.8965
230 TZC 0.8964
231 2RA 0.8964
232 1DU 0.8961
233 92Z 0.8956
234 JAB 0.8955
235 NCM 0.8955
236 JBN 0.8954
237 BU4 0.8952
238 OHG 0.8947
239 SLP 0.8940
240 HBR 0.8935
241 TF4 0.8930
242 ECE 0.8930
243 76X 0.8929
244 2AF 0.8927
245 ACT 0.8927
246 ALF 0.8920
247 DBB 0.8919
248 9A4 0.8917
249 TCV 0.8917
250 BUQ 0.8915
251 6X8 0.8912
252 B24 0.8910
253 MTG 0.8906
254 39J 0.8899
255 C2N 0.8895
256 VSO 0.8882
257 FJO 0.8875
258 2A3 0.8874
259 MAK 0.8874
260 TB0 0.8864
261 ACM 0.8863
262 DE2 0.8857
263 OXE 0.8845
264 HLT 0.8844
265 KIV 0.8844
266 MSF 0.8836
267 ITU 0.8825
268 ICC 0.8822
269 IDH 0.8817
270 HSW 0.8814
271 J3K 0.8814
272 YAN 0.8800
273 BP9 0.8799
274 FW5 0.8789
275 SEY 0.8782
276 3CL 0.8782
277 MZW 0.8781
278 HSM 0.8780
279 265 0.8778
280 THR 0.8778
281 ETM 0.8775
282 CP2 0.8772
283 HV2 0.8764
284 TFB 0.8761
285 3BB 0.8758
286 D2P 0.8755
287 2PC 0.8747
288 TP5 0.8740
289 3HL 0.8737
290 AXO 0.8732
291 AAE 0.8730
292 SMV 0.8728
293 192 0.8720
294 TAY 0.8712
295 BUB 0.8707
296 BAE 0.8707
297 3HR 0.8702
298 BXO 0.8700
299 9X7 0.8699
300 LER 0.8696
301 ALO 0.8694
302 LDU 0.8686
303 BTL 0.8683
304 A1U 0.8683
305 5AC 0.8683
306 URF 0.8675
307 273 0.8667
308 1MC 0.8667
309 ICP 0.8658
310 XPO 0.8656
311 C21 0.8644
312 2HE 0.8643
313 GVH 0.8640
314 OXQ 0.8640
315 4JP 0.8632
316 23W 0.8628
317 MCT 0.8625
318 JZ5 0.8625
319 4HO 0.8625
320 MBD 0.8618
321 XYD 0.8609
322 3MC 0.8605
323 TDR 0.8600
324 4ZE 0.8597
325 1XX 0.8596
326 0R1 0.8595
327 6MH 0.8589
328 DEN 0.8589
329 JZ3 0.8588
330 IQ0 0.8587
331 5UC 0.8583
332 LZ1 0.8580
333 27Y 0.8579
334 WBU 0.8578
335 BZF 0.8575
336 BZI 0.8575
337 MWM 0.8574
338 CP 0.8574
339 IND 0.8567
340 BR9 0.8566
341 1SP 0.8566
342 DPR 0.8563
343 TH0 0.8562
344 AKB 0.8562
345 0CT 0.8561
346 MPI 0.8552
347 R2B 0.8548
348 PZA 0.8542
349 PYG 0.8525
350 3FA 0.8523
351 BEZ 0.8523
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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