Receptor
PDB id Resolution Class Description Source Keywords
1AEV 2.1 Å EC: 1.11.1.5 INTRODUCTION OF NOVEL SUBSTRATE OXIDATION INTO CYTOCHROME C PEROXIDASE BY CAVITY COMPLEMENTATION: OXIDATION OF 2- A MINOTHIAZOLE AND COVALENT MODIFICATION OF THE ENZYME (2- AM INOTHIAZOLE) SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE PEROXIDASE TRANSIT PEPTIDE
Ref.: INTRODUCTION OF NOVEL SUBSTRATE OXIDATION INTO CYTOCHROME C PEROXIDASE BY CAVITY COMPLEMENTATION: OXIDATION OF 2-AMINOTHIAZOLE AND COVALENT MODIFICATION OF THE ENZYME. BIOCHEMISTRY V. 36 11665 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMT A:296;
 Valid;
 none;
 submit data
100.142 C3 H4 N2 S c1csc...
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: AMT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AMT 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: AMT; Similar ligands found: 377
No: Ligand Similarity coefficient
1 CYH 0.9992
2 3TR 0.9946
3 1CB 0.9944
4 BAQ 0.9932
5 3MT 0.9927
6 4MZ 0.9915
7 MR3 0.9907
8 HOW 0.9902
9 2MZ 0.9898
10 MZY 0.9891
11 5MP 0.9890
12 2AI 0.9888
13 V1L 0.9882
14 GBL 0.9880
15 ATQ 0.9880
16 1MZ 0.9877
17 HAI 0.9859
18 5KX 0.9849
19 CXL 0.9840
20 7EX 0.9830
21 JZ6 0.9828
22 IPH 0.9805
23 BYZ 0.9799
24 ES3 0.9785
25 A2Q 0.9784
26 2AP 0.9755
27 9PO 0.9753
28 HVK 0.9752
29 3AP 0.9749
30 LGA 0.9747
31 HRZ 0.9746
32 WOT 0.9745
33 MBN 0.9734
34 2IM 0.9729
35 4AP 0.9725
36 3ZS 0.9719
37 PYZ 0.9708
38 GXE 0.9692
39 B20 0.9689
40 GOL 0.9689
41 HSL 0.9670
42 6SP 0.9668
43 MMZ 0.9666
44 0PY 0.9662
45 8CL 0.9652
46 MZ0 0.9649
47 P1R 0.9640
48 BNZ 0.9639
49 GOA 0.9635
50 DMI 0.9629
51 OXM 0.9628
52 HHN 0.9624
53 PYR 0.9618
54 OXL 0.9613
55 PHZ 0.9601
56 L60 0.9600
57 93B 0.9590
58 TTO 0.9582
59 MB3 0.9580
60 DTI 0.9572
61 HYN 0.9567
62 PIH 0.9559
63 3OH 0.9555
64 DGY 0.9549
65 HGW 0.9542
66 4AX 0.9540
67 AKR 0.9538
68 GLV 0.9521
69 NVI 0.9521
70 XIX 0.9518
71 FAH 0.9516
72 HGY 0.9508
73 NIE 0.9502
74 OXD 0.9498
75 HAE 0.9497
76 LAC 0.9494
77 24T 0.9490
78 GLY 0.9489
79 F50 0.9489
80 25T 0.9485
81 KSW 0.9481
82 HIU 0.9480
83 MGX 0.9478
84 CEJ 0.9476
85 PYM 0.9473
86 AGU 0.9465
87 NMU 0.9464
88 E60 0.9463
89 2KT 0.9462
90 NHY 0.9460
91 HVB 0.9460
92 PPI 0.9444
93 ALA 0.9444
94 1DH 0.9441
95 DXX 0.9425
96 5Y9 0.9424
97 CYS 0.9415
98 DMG 0.9414
99 2A1 0.9413
100 MEU 0.9408
101 SER 0.9404
102 R3W 0.9398
103 4XX 0.9392
104 BUO 0.9386
105 BVG 0.9380
106 F3V 0.9380
107 2OP 0.9380
108 PZO 0.9375
109 BAL 0.9375
110 TRI 0.9360
111 MMU 0.9360
112 61G 0.9353
113 DSN 0.9350
114 IMD 0.9344
115 DAL 0.9339
116 HUH 0.9336
117 BVC 0.9333
118 282 0.9329
119 HVQ 0.9321
120 KG7 0.9311
121 TSZ 0.9311
122 1BP 0.9303
123 BUA 0.9297
124 HPY 0.9286
125 HUI 0.9284
126 280 0.9278
127 DUC 0.9275
128 NAK 0.9266
129 MLI 0.9263
130 FPI 0.9262
131 MLA 0.9261
132 3PY 0.9257
133 ATO 0.9251
134 NIS 0.9250
135 3ZQ 0.9245
136 ECE 0.9244
137 4JU 0.9236
138 TMZ 0.9236
139 URA 0.9234
140 26D 0.9234
141 TMT 0.9223
142 2EZ 0.9220
143 LG3 0.9218
144 CYT 0.9217
145 GXV 0.9207
146 8GF 0.9199
147 AMC 0.9197
148 C5J 0.9193
149 RCO 0.9193
150 ALF 0.9190
151 1AC 0.9190
152 938 0.9188
153 LG4 0.9182
154 PCR 0.9177
155 PXO 0.9173
156 CRS 0.9172
157 284 0.9171
158 93Q 0.9168
159 SYN 0.9165
160 HQE 0.9163
161 LG5 0.9163
162 CIG 0.9161
163 TF4 0.9160
164 ABA 0.9160
165 DCY 0.9159
166 FP2 0.9158
167 2HA 0.9158
168 40O 0.9157
169 SAR 0.9153
170 HBS 0.9150
171 3CH 0.9149
172 BVF 0.9147
173 278 0.9140
174 2MH 0.9140
175 VAL 0.9137
176 1AN 0.9136
177 ABN 0.9136
178 92Z 0.9133
179 MLM 0.9131
180 HGQ 0.9130
181 25R 0.9128
182 PXY 0.9128
183 APY 0.9127
184 PRI 0.9125
185 HBX 0.9124
186 H3M 0.9123
187 8LG 0.9122
188 2CH 0.9118
189 PLQ 0.9116
190 P2D 0.9109
191 HTS 0.9108
192 BXA 0.9106
193 DA1 0.9105
194 L89 0.9104
195 AOA 0.9104
196 03W 0.9103
197 BML 0.9103
198 ICC 0.9102
199 76X 0.9100
200 4CH 0.9100
201 PYF 0.9099
202 BRP 0.9098
203 3GR 0.9098
204 4JN 0.9095
205 TCV 0.9095
206 DBB 0.9094
207 A3B 0.9094
208 BEW 0.9090
209 FPN 0.9089
210 2RA 0.9088
211 ALQ 0.9088
212 PY7 0.9086
213 CAQ 0.9085
214 285 0.9082
215 HEW 0.9079
216 SMB 0.9078
217 NBE 0.9074
218 4HS 0.9073
219 HHQ 0.9068
220 JZ0 0.9067
221 IOL 0.9059
222 ETF 0.9058
223 B3R 0.9057
224 M3T 0.9055
225 RP7 0.9050
226 XAP 0.9038
227 4H2 0.9035
228 2AF 0.9032
229 PYJ 0.9032
230 DE2 0.9023
231 BU4 0.9021
232 6X8 0.9013
233 HBR 0.9011
234 BUQ 0.9007
235 OXE 0.9000
236 1MR 0.8993
237 CP2 0.8990
238 IDH 0.8989
239 9A4 0.8989
240 B24 0.8984
241 9CL 0.8982
242 J1Z 0.8980
243 KIV 0.8963
244 39J 0.8959
245 J3K 0.8951
246 BMD 0.8948
247 C2N 0.8940
248 NCM 0.8936
249 YAN 0.8930
250 MAK 0.8928
251 CRD 0.8923
252 HLT 0.8920
253 3CL 0.8919
254 CHT 0.8917
255 2A3 0.8915
256 THR 0.8904
257 TAN 0.8904
258 MTG 0.8896
259 4DX 0.8896
260 D2P 0.8882
261 FOA 0.8882
262 2HE 0.8881
263 ITU 0.8844
264 PRO 0.8842
265 FW5 0.8841
266 PYC 0.8835
267 3BB 0.8828
268 SMV 0.8824
269 ALO 0.8822
270 OHG 0.8816
271 JBN 0.8797
272 BP9 0.8795
273 CNH 0.8795
274 HSW 0.8788
275 192 0.8787
276 1DU 0.8784
277 TZC 0.8779
278 9X7 0.8778
279 3FA 0.8777
280 JAB 0.8773
281 3MC 0.8771
282 FFP 0.8768
283 LER 0.8757
284 MBD 0.8757
285 URF 0.8756
286 TAY 0.8754
287 ACT 0.8754
288 PYG 0.8753
289 TP5 0.8753
290 23W 0.8751
291 TDR 0.8750
292 265 0.8750
293 VSO 0.8748
294 2PC 0.8748
295 PPF 0.8748
296 AAE 0.8743
297 FPY 0.8738
298 2C9 0.8733
299 275 0.8729
300 2MY 0.8729
301 1MC 0.8727
302 TM4 0.8726
303 ACM 0.8724
304 FLM 0.8722
305 TFB 0.8719
306 ICP 0.8718
307 JZ3 0.8714
308 TB0 0.8713
309 MCT 0.8712
310 YHO 0.8710
311 6MH 0.8705
312 3HR 0.8703
313 4HO 0.8703
314 3CE 0.8701
315 OXQ 0.8700
316 BAE 0.8694
317 2CM 0.8693
318 WBU 0.8688
319 1XX 0.8683
320 3HL 0.8682
321 HV2 0.8679
322 BXO 0.8678
323 4JO 0.8676
324 R8A 0.8676
325 A1U 0.8675
326 GVH 0.8670
327 4CL 0.8669
328 BZF 0.8668
329 2AC 0.8667
330 273 0.8665
331 AKB 0.8661
332 5AC 0.8661
333 3MH 0.8659
334 TH0 0.8657
335 MWM 0.8654
336 DEN 0.8652
337 4ZE 0.8652
338 5UC 0.8651
339 BR9 0.8647
340 4JJ 0.8645
341 BZI 0.8645
342 34A 0.8644
343 JZ2 0.8644
344 XYD 0.8643
345 IND 0.8641
346 NK 0.8640
347 NEQ 0.8638
348 C21 0.8632
349 MRY 0.8632
350 XBZ 0.8630
351 IUR 0.8630
352 27Y 0.8630
353 DUB 0.8629
354 43M 0.8627
355 AF3 0.8624
356 GAG 0.8623
357 4JP 0.8621
358 AX2 0.8618
359 SGL 0.8616
360 0R1 0.8616
361 5MH 0.8610
362 MPI 0.8604
363 TM7 0.8604
364 0CT 0.8595
365 LZ1 0.8594
366 MWJ 0.8593
367 0R0 0.8590
368 HT4 0.8589
369 WDL 0.8585
370 5JC 0.8580
371 GBD 0.8579
372 2YU 0.8564
373 R2B 0.8561
374 1AB 0.8560
375 286 0.8546
376 XYS 0.8530
377 IVA 0.8527
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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