Receptor
PDB id Resolution Class Description Source Keywords
2RBU 1.8 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE IN COMPLEX WITH CYCLOPENTANE-CARBOXI SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE
Ref.: RESCORING DOCKING HIT LISTS FOR MODEL CAVITY SITES: PREDICTIONS AND EXPERIMENTAL TESTING. J.MOL.BIOL. V. 377 914 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
273 X:4001;
Valid;
none;
submit data
112.173 C6 H12 N2 [H]/N...
HEM X: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: 273; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 273 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 273; Similar ligands found: 777
No: Ligand Similarity coefficient
1 PRO 1.0000
2 2PC 1.0000
3 JBN 0.9998
4 FOA 0.9988
5 C21 0.9977
6 TP5 0.9970
7 SMV 0.9953
8 265 0.9940
9 TZC 0.9928
10 PYC 0.9921
11 BEN 0.9885
12 JAB 0.9868
13 BEZ 0.9852
14 NBZ 0.9840
15 NCA 0.9831
16 NIO 0.9828
17 PZA 0.9814
18 6PC 0.9812
19 BAM 0.9809
20 VGL 0.9808
21 NTN 0.9799
22 UNU 0.9795
23 BE7 0.9790
24 PBC 0.9772
25 DPR 0.9766
26 MLI 0.9763
27 M58 0.9754
28 AC0 0.9750
29 J1Z 0.9723
30 PRS 0.9683
31 QSC 0.9682
32 YCP 0.9678
33 TFB 0.9666
34 MLA 0.9661
35 JZ5 0.9650
36 SS1 0.9644
37 1DU 0.9635
38 IT2 0.9620
39 IND 0.9614
40 GAG 0.9612
41 NVI 0.9605
42 PRI 0.9597
43 BZI 0.9596
44 C5J 0.9593
45 SS2 0.9580
46 282 0.9578
47 LZ1 0.9575
48 5AC 0.9573
49 HYP 0.9573
50 4JP 0.9568
51 54D 0.9564
52 UY7 0.9563
53 SER 0.9559
54 OXQ 0.9559
55 GBD 0.9559
56 PY7 0.9559
57 60P 0.9556
58 AC5 0.9555
59 PCA 0.9551
60 BZF 0.9547
61 0R1 0.9545
62 SYN 0.9544
63 MPI 0.9543
64 M6W 0.9542
65 HBX 0.9540
66 MLM 0.9537
67 MZ0 0.9534
68 BNS 0.9527
69 BVG 0.9525
70 GVH 0.9523
71 0CT 0.9520
72 KIV 0.9518
73 OAA 0.9509
74 IDM 0.9498
75 MRZ 0.9495
76 MAK 0.9492
77 THR 0.9490
78 NBE 0.9487
79 MLT 0.9487
80 P2D 0.9486
81 ABN 0.9476
82 DEN 0.9476
83 HVQ 0.9476
84 IVA 0.9474
85 UYA 0.9470
86 PYF 0.9470
87 HSM 0.9465
88 TZL 0.9463
89 ZBT 0.9463
90 1DQ 0.9460
91 HY3 0.9457
92 IQ0 0.9453
93 192 0.9452
94 3PY 0.9447
95 VAL 0.9443
96 UGC 0.9428
97 HX2 0.9426
98 1MR 0.9417
99 3HL 0.9409
100 BHO 0.9403
101 SIN 0.9398
102 XBT 0.9390
103 FPI 0.9387
104 2KT 0.9386
105 JZ9 0.9386
106 LMR 0.9385
107 T2C 0.9384
108 NMG 0.9384
109 AAE 0.9381
110 OK7 0.9381
111 FQI 0.9378
112 TEO 0.9377
113 14J 0.9376
114 QUZ 0.9373
115 9CL 0.9371
116 HV2 0.9371
117 RSO 0.9368
118 HZP 0.9367
119 ASN 0.9366
120 3HR 0.9358
121 AMC 0.9357
122 FAN 0.9355
123 JZ7 0.9355
124 MAE 0.9354
125 HDA 0.9350
126 KG7 0.9345
127 NPY 0.9344
128 BVC 0.9339
129 CFI 0.9329
130 PMB 0.9328
131 ISZ 0.9322
132 DYA 0.9321
133 6M9 0.9319
134 CRN 0.9317
135 JBE 0.9316
136 FEH 0.9316
137 FUM 0.9308
138 DMG 0.9307
139 DSN 0.9303
140 NPO 0.9301
141 BE2 0.9301
142 SVN 0.9297
143 NMJ 0.9296
144 FBM 0.9291
145 SAL 0.9290
146 DAS 0.9289
147 Z82 0.9287
148 PHB 0.9286
149 FBJ 0.9285
150 I1E 0.9284
151 ASP 0.9283
152 2CK 0.9279
153 F05 0.9279
154 DE2 0.9278
155 4SV 0.9277
156 0RW 0.9277
157 3U4 0.9276
158 HLR 0.9276
159 TH0 0.9276
160 DCL 0.9275
161 6M4 0.9275
162 1WD 0.9273
163 FB2 0.9269
164 JKE 0.9269
165 23W 0.9263
166 IOM 0.9261
167 4CS 0.9261
168 APY 0.9258
169 ES6 0.9253
170 DTL 0.9246
171 ALO 0.9245
172 9EW 0.9244
173 69O 0.9244
174 HSE 0.9242
175 SPA 0.9239
176 0TR 0.9236
177 14O 0.9234
178 PAE 0.9232
179 5H1 0.9232
180 PLQ 0.9232
181 PEL 0.9231
182 NK 0.9230
183 CAQ 0.9228
184 8GC 0.9226
185 CP 0.9222
186 FPN 0.9216
187 F60 0.9215
188 7WV 0.9212
189 HQE 0.9211
190 1Y6 0.9207
191 2K4 0.9207
192 BEW 0.9206
193 BZX 0.9205
194 BP9 0.9204
195 MCT 0.9204
196 271 0.9203
197 3SK 0.9201
198 PYJ 0.9200
199 CHT 0.9200
200 HIO 0.9199
201 ITN 0.9199
202 6AI 0.9197
203 PEA 0.9196
204 DA1 0.9196
205 8EZ 0.9195
206 1WG 0.9193
207 4MA 0.9193
208 URF 0.9191
209 GAB 0.9188
210 MXN 0.9187
211 5MI 0.9187
212 PAB 0.9186
213 P72 0.9186
214 MWM 0.9186
215 AX7 0.9185
216 CEJ 0.9184
217 ILE 0.9184
218 1DV 0.9180
219 NIZ 0.9180
220 7WG 0.9180
221 2EZ 0.9180
222 5MB 0.9179
223 THE 0.9175
224 270 0.9175
225 1PT 0.9175
226 DXX 0.9173
227 NXA 0.9171
228 COI 0.9167
229 HBA 0.9167
230 ABV 0.9165
231 HBD 0.9164
232 9X7 0.9162
233 PCR 0.9159
234 BAL 0.9159
235 4ZE 0.9156
236 1MC 0.9154
237 2IM 0.9154
238 TAR 0.9153
239 HCS 0.9153
240 LG4 0.9152
241 LER 0.9152
242 826 0.9151
243 F9P 0.9150
244 WCE 0.9147
245 280 0.9146
246 OXE 0.9144
247 SSN 0.9144
248 CXL 0.9142
249 51F 0.9141
250 2CQ 0.9141
251 2MI 0.9141
252 DGY 0.9140
253 OVV 0.9140
254 HYN 0.9139
255 24T 0.9139
256 GOL 0.9138
257 URA 0.9138
258 3AB 0.9138
259 40E 0.9136
260 BRT 0.9135
261 9YL 0.9135
262 150 0.9133
263 3NT 0.9129
264 PBZ 0.9129
265 VAH 0.9128
266 XBZ 0.9128
267 DAB 0.9128
268 FPY 0.9127
269 3HB 0.9126
270 JAE 0.9126
271 5JC 0.9123
272 MNN 0.9123
273 AKB 0.9122
274 2YU 0.9122
275 PXY 0.9122
276 SW7 0.9121
277 3BZ 0.9121
278 5HN 0.9119
279 TDR 0.9119
280 ICP 0.9118
281 TZE 0.9118
282 PYD 0.9118
283 P92 0.9117
284 1DJ 0.9115
285 H4N 0.9113
286 11S 0.9113
287 2CH 0.9111
288 HAI 0.9109
289 ABU 0.9108
290 HT4 0.9108
291 ES9 0.9107
292 2HE 0.9106
293 03W 0.9106
294 WBU 0.9106
295 3CH 0.9106
296 25R 0.9104
297 MPD 0.9103
298 4HO 0.9103
299 B24 0.9103
300 RCO 0.9103
301 2MP 0.9102
302 MZW 0.9102
303 XAP 0.9102
304 IHG 0.9101
305 IPH 0.9101
306 MSF 0.9099
307 5MH 0.9097
308 TLA 0.9096
309 OHG 0.9095
310 5UC 0.9093
311 7CZ 0.9093
312 2AC 0.9092
313 275 0.9091
314 SAT 0.9091
315 FLA 0.9091
316 E60 0.9088
317 VNJ 0.9088
318 FK1 0.9086
319 53C 0.9085
320 AC6 0.9083
321 3OC 0.9081
322 CEE 0.9078
323 A3B 0.9078
324 34A 0.9077
325 TPA 0.9076
326 PBE 0.9075
327 4VP 0.9075
328 RBL 0.9074
329 HUI 0.9074
330 AOA 0.9073
331 IPU 0.9073
332 XYD 0.9072
333 25T 0.9071
334 4JU 0.9069
335 TM7 0.9066
336 XM0 0.9065
337 SNE 0.9065
338 HY1 0.9064
339 TB6 0.9064
340 LDU 0.9063
341 7VD 0.9060
342 JZ0 0.9060
343 BVF 0.9059
344 1AN 0.9055
345 CRS 0.9054
346 LG3 0.9053
347 CYS 0.9052
348 ADE 0.9051
349 S0H 0.9050
350 174 0.9048
351 PGA 0.9047
352 43M 0.9047
353 PEP 0.9047
354 4CH 0.9046
355 CYT 0.9046
356 V1L 0.9045
357 PHU 0.9044
358 MRY 0.9043
359 1P3 0.9041
360 HRZ 0.9040
361 MBN 0.9039
362 R2B 0.9039
363 FP2 0.9038
364 HPA 0.9038
365 45C 0.9038
366 2MH 0.9037
367 2AP 0.9036
368 A1U 0.9036
369 7EX 0.9036
370 CXF 0.9035
371 2AF 0.9035
372 L89 0.9035
373 26D 0.9033
374 8GF 0.9032
375 HVK 0.9031
376 SAR 0.9031
377 MZG 0.9031
378 LG5 0.9030
379 3AP 0.9030
380 PKU 0.9030
381 KYD 0.9028
382 23B 0.9027
383 3ZQ 0.9027
384 A2Q 0.9025
385 YAN 0.9025
386 76X 0.9022
387 QY9 0.9021
388 ABA 0.9020
389 1AC 0.9017
390 GXE 0.9017
391 4AP 0.9017
392 8NY 0.9017
393 RSF 0.9016
394 F4Z 0.9016
395 M4T 0.9016
396 HIU 0.9016
397 BXO 0.9016
398 JYD 0.9015
399 93Q 0.9015
400 39J 0.9012
401 JZ3 0.9012
402 9PO 0.9012
403 BUA 0.9011
404 92Z 0.9008
405 WOT 0.9008
406 4MV 0.9007
407 PCT 0.9004
408 SMB 0.9003
409 XIX 0.9002
410 JZ2 0.9001
411 4CL 0.9001
412 93B 0.9001
413 ECE 0.9000
414 8LG 0.9000
415 98J 0.9000
416 C2N 0.8999
417 CYH 0.8998
418 1SA 0.8997
419 4JO 0.8997
420 PZI 0.8996
421 XRG 0.8995
422 K34 0.8995
423 BML 0.8993
424 3ID 0.8992
425 4JJ 0.8992
426 TH7 0.8992
427 LEA 0.8992
428 3OH 0.8988
429 HTS 0.8988
430 3V4 0.8987
431 IMR 0.8984
432 KKN 0.8979
433 2HA 0.8979
434 IUR 0.8979
435 TC7 0.8978
436 938 0.8977
437 QFH 0.8977
438 R8A 0.8977
439 EDG 0.8974
440 4HS 0.8972
441 8X3 0.8972
442 ICC 0.8971
443 HPY 0.8971
444 DMD 0.8969
445 5FX 0.8969
446 BAQ 0.8968
447 1DH 0.8967
448 4H2 0.8962
449 OXD 0.8962
450 10L 0.8961
451 URP 0.8960
452 5WV 0.8960
453 BUQ 0.8959
454 IZC 0.8959
455 51R 0.8959
456 3SL 0.8958
457 PM6 0.8957
458 SRT 0.8957
459 1AB 0.8956
460 278 0.8956
461 CIZ 0.8954
462 GG6 0.8951
463 RMN 0.8951
464 8CL 0.8950
465 L60 0.8950
466 DCY 0.8949
467 9DA 0.8949
468 LGA 0.8949
469 FCN 0.8948
470 R1X 0.8947
471 M3T 0.8945
472 4JN 0.8944
473 GJZ 0.8943
474 2RA 0.8943
475 ES4 0.8941
476 CIG 0.8939
477 PAC 0.8938
478 L3Q 0.8938
479 TLD 0.8937
480 BP1 0.8933
481 FW5 0.8932
482 TMZ 0.8931
483 OXL 0.8931
484 TAU 0.8931
485 1DW 0.8930
486 AHB 0.8929
487 FP1 0.8929
488 27Y 0.8927
489 MWJ 0.8925
490 TSU 0.8925
491 BMD 0.8924
492 ES7 0.8923
493 AL0 0.8921
494 YHO 0.8919
495 PAF 0.8918
496 RHU 0.8916
497 ISN 0.8914
498 H95 0.8914
499 FB1 0.8913
500 LEU 0.8913
501 CSS 0.8912
502 SPV 0.8911
503 COU 0.8911
504 1SP 0.8910
505 7HP 0.8908
506 9HX 0.8908
507 XLS 0.8907
508 RP7 0.8907
509 7WA 0.8906
510 FBV 0.8904
511 XQ0 0.8902
512 HHA 0.8902
513 4JL 0.8902
514 MEU 0.8901
515 0R0 0.8900
516 JB5 0.8900
517 WTZ 0.8899
518 40O 0.8899
519 HEW 0.8893
520 XCZ 0.8893
521 6MP 0.8892
522 HSO 0.8892
523 G3P 0.8891
524 MMU 0.8889
525 HGQ 0.8887
526 4JM 0.8887
527 0V5 0.8887
528 PEQ 0.8887
529 B3R 0.8887
530 H42 0.8886
531 2DR 0.8886
532 N4B 0.8885
533 9RW 0.8884
534 HMH 0.8884
535 7N0 0.8884
536 03V 0.8882
537 3F0 0.8881
538 RIB 0.8880
539 SGL 0.8879
540 284 0.8879
541 3M0 0.8878
542 MTG 0.8878
543 SHA 0.8878
544 2AQ 0.8877
545 BR9 0.8877
546 3HA 0.8877
547 ES5 0.8875
548 8K2 0.8871
549 1P7 0.8870
550 KPL 0.8869
551 X1S 0.8869
552 XUL 0.8867
553 3BB 0.8866
554 OPE 0.8866
555 BU4 0.8866
556 2AS 0.8866
557 PAH 0.8865
558 DBB 0.8863
559 9TY 0.8861
560 SWD 0.8861
561 AHR 0.8860
562 RUU 0.8860
563 Y8I 0.8858
564 5B1 0.8858
565 PYR 0.8857
566 BTE 0.8857
567 DMV 0.8856
568 HBR 0.8855
569 ICF 0.8854
570 IDH 0.8854
571 DBH 0.8853
572 4FS 0.8853
573 PYG 0.8851
574 PPR 0.8851
575 7W4 0.8851
576 H3M 0.8851
577 LAC 0.8850
578 67N 0.8848
579 M1A 0.8846
580 DQY 0.8846
581 XYP 0.8844
582 XPO 0.8844
583 FBA 0.8841
584 BAE 0.8840
585 TTO 0.8836
586 FCR 0.8836
587 PUT 0.8836
588 OCH 0.8833
589 MUC 0.8832
590 HHN 0.8831
591 717 0.8830
592 5Q0 0.8830
593 XYL 0.8828
594 RB5 0.8828
595 1LQ 0.8828
596 6X8 0.8827
597 IOL 0.8826
598 GLY GLY 0.8825
599 1SQ 0.8823
600 ALQ 0.8822
601 7B4 0.8820
602 CMS 0.8819
603 7A8 0.8819
604 KOJ 0.8817
605 TMT 0.8816
606 GOJ 0.8815
607 ATQ 0.8814
608 ABE 0.8813
609 P9P 0.8813
610 1NP 0.8812
611 8OZ 0.8810
612 ODV 0.8810
613 GUA 0.8809
614 BUB 0.8808
615 NVA 0.8804
616 286 0.8803
617 4JT 0.8801
618 HBS 0.8800
619 EGD 0.8798
620 GBL 0.8797
621 3MC 0.8796
622 AGK 0.8795
623 J9T 0.8794
624 ETX 0.8791
625 GIF 0.8790
626 5SG 0.8787
627 PPV 0.8787
628 9TZ 0.8787
629 5IQ 0.8786
630 DUC 0.8781
631 H8N 0.8780
632 ALA 0.8778
633 1CB 0.8777
634 1LN 0.8777
635 A09 0.8777
636 285 0.8777
637 24B 0.8777
638 LLQ 0.8776
639 6SP 0.8774
640 GLU 0.8774
641 JPZ 0.8772
642 N5J 0.8769
643 2ZV 0.8768
644 OXM 0.8767
645 GLL 0.8766
646 GYE 0.8765
647 POA 0.8764
648 AAS 0.8764
649 JZ1 0.8763
650 R67 0.8762
651 ADZ 0.8761
652 24W 0.8759
653 2CO 0.8758
654 4YS 0.8757
655 173 0.8756
656 45L 0.8753
657 FYU 0.8751
658 SC2 0.8745
659 4NC 0.8741
660 SLP 0.8741
661 6F0 0.8739
662 XYS 0.8739
663 FUB 0.8738
664 4P5 0.8738
665 3MT 0.8738
666 GRE 0.8735
667 1GP 0.8735
668 MZY 0.8734
669 4XH 0.8732
670 2HO 0.8731
671 4SD 0.8730
672 PIH 0.8729
673 4XX 0.8729
674 DOB 0.8726
675 MYJ 0.8725
676 SMN 0.8722
677 FA0 0.8722
678 HGW 0.8721
679 SAN 0.8717
680 6M1 0.8716
681 A20 0.8716
682 BHA 0.8715
683 SD4 0.8714
684 QSB 0.8713
685 JBK 0.8711
686 3GR 0.8709
687 HIS 0.8708
688 INO 0.8706
689 93K 0.8703
690 DTU 0.8701
691 DHB 0.8700
692 2PN 0.8700
693 3HM 0.8700
694 MET 0.8697
695 8H8 0.8695
696 0MK 0.8695
697 ITU 0.8695
698 FBW 0.8695
699 HH8 0.8693
700 PIS 0.8692
701 Q88 0.8691
702 4A3 0.8689
703 4XR 0.8689
704 C2B 0.8688
705 4M0 0.8688
706 AKG 0.8687
707 ACH 0.8686
708 K6H 0.8685
709 RNS 0.8683
710 NEQ 0.8681
711 HH5 0.8675
712 5CU 0.8674
713 IHB 0.8674
714 C2A 0.8672
715 2OP 0.8671
716 2MZ 0.8667
717 AMT 0.8665
718 RIP 0.8663
719 3XX 0.8662
720 4MZ 0.8660
721 IFM 0.8656
722 FJO 0.8656
723 Z6J 0.8655
724 1P8 0.8655
725 HX3 0.8654
726 4J8 0.8653
727 JLZ 0.8652
728 MR3 0.8649
729 I3A 0.8648
730 9TW 0.8647
731 3TR 0.8647
732 MTD 0.8646
733 9X6 0.8644
734 7HQ 0.8642
735 5MK 0.8642
736 IP0 0.8641
737 1MZ 0.8639
738 GTQ 0.8638
739 5RG 0.8638
740 XAN 0.8638
741 MMZ 0.8635
742 PYM 0.8635
743 DS0 0.8635
744 FBS 0.8632
745 5KX 0.8630
746 TIU 0.8628
747 JZ6 0.8627
748 MB3 0.8626
749 CHB 0.8625
750 261 0.8623
751 BTL 0.8622
752 069 0.8621
753 POP 0.8620
754 BYZ 0.8620
755 OXZ 0.8620
756 54G 0.8610
757 HOW 0.8610
758 O7U 0.8605
759 34V 0.8604
760 OTR 0.8604
761 ARB 0.8602
762 64K 0.8601
763 MR1 0.8585
764 FPK 0.8583
765 ES3 0.8580
766 OVP 0.8570
767 13P 0.8570
768 DFU 0.8568
769 PYZ 0.8567
770 DFB 0.8565
771 FUC 0.8563
772 FCA 0.8560
773 FUL 0.8554
774 NK2 0.8540
775 SVD 0.8532
776 4NM 0.8523
777 GLN 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
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