Receptor
PDB id Resolution Class Description Source Keywords
2RBV 1.39 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE IN COMPLEX WITH (1-METHYL-1H-PYRROL- METHYLAMINE 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
278 X:2001;
 Valid;
 none;
 submit data
110.157 C6 H10 N2 Cn1cc...
HEM X:400;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
PO4 X:1001;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
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: 278; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 278 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 278; Similar ligands found: 667
No: Ligand Similarity coefficient
1 280 0.9850
2 MMZ 0.9760
3 R8A 0.9723
4 KSW 0.9707
5 SYN 0.9699
6 JZ1 0.9682
7 51F 0.9669
8 5AC 0.9668
9 JZ3 0.9665
10 MZ0 0.9654
11 NK 0.9645
12 MB3 0.9632
13 PYJ 0.9624
14 282 0.9614
15 NEQ 0.9593
16 ABN 0.9591
17 1AB 0.9590
18 NVI 0.9581
19 9CL 0.9573
20 HVQ 0.9567
21 0R0 0.9564
22 URA 0.9562
23 APY 0.9548
24 IPH 0.9544
25 BVG 0.9540
26 286 0.9539
27 2EZ 0.9535
28 B24 0.9518
29 HBX 0.9511
30 HGQ 0.9503
31 CRS 0.9500
32 26D 0.9493
33 DMI 0.9490
34 HSL 0.9490
35 4AX 0.9483
36 HCS 0.9482
37 PYF 0.9481
38 1MR 0.9479
39 2KT 0.9474
40 47J 0.9473
41 HHN 0.9469
42 3ZQ 0.9466
43 EDG 0.9446
44 PY7 0.9442
45 CYS 0.9437
46 HPY 0.9435
47 2DR 0.9435
48 DUC 0.9431
49 8CL 0.9427
50 PIH 0.9420
51 TTO 0.9415
52 DCY 0.9414
53 MBN 0.9414
54 KG7 0.9413
55 HGW 0.9411
56 GXE 0.9411
57 FPI 0.9411
58 OXQ 0.9406
59 AMC 0.9400
60 BVC 0.9397
61 2IM 0.9397
62 3AP 0.9392
63 IMR 0.9390
64 BEW 0.9387
65 CYT 0.9385
66 LGA 0.9381
67 SER 0.9380
68 IP0 0.9379
69 TZE 0.9379
70 WOT 0.9375
71 PRI 0.9374
72 GAG 0.9373
73 4AP 0.9373
74 R1X 0.9370
75 R2B 0.9370
76 2AP 0.9369
77 HVK 0.9369
78 DGY 0.9363
79 285 0.9362
80 DSN 0.9362
81 NBE 0.9361
82 HRZ 0.9358
83 9X7 0.9358
84 CXL 0.9356
85 CIG 0.9354
86 284 0.9353
87 CEJ 0.9353
88 H3M 0.9352
89 93B 0.9350
90 E60 0.9344
91 IDH 0.9339
92 1LN 0.9334
93 40O 0.9334
94 6PC 0.9334
95 CYH 0.9332
96 FP1 0.9331
97 DTI 0.9330
98 M2H 0.9328
99 3PY 0.9327
100 HSM 0.9321
101 LG3 0.9319
102 A3B 0.9317
103 HIU 0.9316
104 2LP 0.9315
105 BVF 0.9312
106 HAI 0.9310
107 A2Q 0.9310
108 AHR 0.9309
109 HSE 0.9306
110 CAQ 0.9302
111 9PO 0.9302
112 3CH 0.9301
113 938 0.9300
114 RCO 0.9296
115 L60 0.9291
116 4XX 0.9290
117 HUI 0.9284
118 B3R 0.9281
119 SMB 0.9280
120 KIV 0.9279
121 Z6J 0.9278
122 DCD 0.9278
123 3SK 0.9277
124 RIB 0.9276
125 HY1 0.9275
126 LG5 0.9275
127 93Q 0.9270
128 2CH 0.9270
129 76X 0.9267
130 DFB 0.9266
131 GBD 0.9266
132 DXX 0.9264
133 3U4 0.9264
134 V1L 0.9264
135 NVA 0.9263
136 DAB 0.9260
137 HEW 0.9259
138 BSX 0.9259
139 8GF 0.9257
140 C2A 0.9257
141 6X8 0.9250
142 FP2 0.9250
143 L89 0.9249
144 271 0.9248
145 6UA 0.9245
146 7EX 0.9244
147 NIO 0.9242
148 THR 0.9241
149 BAQ 0.9239
150 BE2 0.9236
151 HTS 0.9234
152 261 0.9233
153 M3T 0.9231
154 NCA 0.9230
155 HHQ 0.9228
156 1AN 0.9228
157 2ZX 0.9227
158 60P 0.9225
159 VAL 0.9223
160 92Z 0.9221
161 8LG 0.9220
162 HYN 0.9220
163 39J 0.9213
164 TMZ 0.9211
165 OXE 0.9211
166 SAL 0.9209
167 ABA 0.9206
168 URF 0.9205
169 M58 0.9205
170 OHG 0.9204
171 YAN 0.9200
172 AX2 0.9199
173 O7U 0.9198
174 GBL 0.9197
175 KYD 0.9196
176 1CB 0.9196
177 TFB 0.9195
178 4H2 0.9194
179 RSF 0.9193
180 MZW 0.9192
181 XIX 0.9191
182 2AF 0.9190
183 F81 0.9190
184 HY3 0.9187
185 SS2 0.9185
186 FUB 0.9185
187 24T 0.9181
188 MZY 0.9176
189 ES3 0.9175
190 JZ6 0.9175
191 WBU 0.9175
192 WDL 0.9174
193 IFM 0.9174
194 BYZ 0.9173
195 4CH 0.9172
196 5MP 0.9170
197 BAM 0.9170
198 ATQ 0.9170
199 VNJ 0.9169
200 BP9 0.9167
201 13X 0.9165
202 FW5 0.9165
203 PYG 0.9164
204 FPK 0.9164
205 23W 0.9163
206 5ZE 0.9162
207 PRO 0.9162
208 PYZ 0.9158
209 1XX 0.9157
210 3AY 0.9156
211 4MZ 0.9155
212 69O 0.9153
213 5KX 0.9152
214 40E 0.9152
215 FYU 0.9152
216 7WG 0.9152
217 260 0.9150
218 1DU 0.9149
219 JZ4 0.9148
220 ICC 0.9147
221 OXZ 0.9141
222 PRY 0.9140
223 AMT 0.9140
224 FOA 0.9139
225 A1U 0.9134
226 JZ7 0.9134
227 BEN 0.9134
228 24B 0.9133
229 3MC 0.9133
230 2RA 0.9133
231 DBB 0.9127
232 3TR 0.9127
233 ES6 0.9123
234 1AC 0.9123
235 CEE 0.9121
236 2MZ 0.9120
237 HQE 0.9120
238 4JU 0.9119
239 192 0.9119
240 AZF 0.9119
241 AKB 0.9119
242 1MZ 0.9118
243 3Z7 0.9118
244 ERH 0.9117
245 3CE 0.9117
246 PZA 0.9115
247 5AN 0.9111
248 BML 0.9110
249 03W 0.9108
250 VGL 0.9103
251 JZ5 0.9101
252 3FA 0.9101
253 2XX 0.9100
254 ALO 0.9099
255 4HO 0.9097
256 NTN 0.9096
257 TMT 0.9095
258 4CL 0.9094
259 MR3 0.9093
260 BEZ 0.9091
261 1MC 0.9091
262 LG4 0.9090
263 TDR 0.9089
264 SMV 0.9087
265 4ZE 0.9086
266 JBN 0.9084
267 H76 0.9084
268 BR8 0.9084
269 FFP 0.9084
270 MCT 0.9084
271 IHG 0.9084
272 PEL 0.9083
273 HOW 0.9082
274 4SV 0.9082
275 DA1 0.9081
276 YHO 0.9081
277 JZ0 0.9081
278 JIF 0.9080
279 12M 0.9080
280 PLQ 0.9079
281 3XX 0.9079
282 HBA 0.9079
283 OAA 0.9078
284 6MH 0.9078
285 4JL 0.9076
286 LMR 0.9076
287 BR9 0.9075
288 GMN 0.9074
289 25T 0.9072
290 LAC 0.9072
291 PBC 0.9071
292 MAK 0.9070
293 QSC 0.9070
294 ECE 0.9069
295 MLI 0.9069
296 DUB 0.9068
297 1WD 0.9068
298 2MY 0.9063
299 BUA 0.9061
300 JKE 0.9059
301 9YL 0.9058
302 LDU 0.9057
303 PCA 0.9053
304 PBE 0.9053
305 4JJ 0.9052
306 2AC 0.9051
307 JZ2 0.9048
308 IPZ 0.9048
309 TM4 0.9046
310 1DH 0.9045
311 ZZ3 0.9044
312 2AI 0.9043
313 27Y 0.9043
314 PCR 0.9040
315 PEA 0.9040
316 25R 0.9040
317 ZZT 0.9039
318 FPN 0.9039
319 BNS 0.9037
320 FPY 0.9037
321 PYR 0.9037
322 HPA 0.9036
323 AC0 0.9034
324 2YU 0.9034
325 5JC 0.9034
326 MLA 0.9032
327 FLM 0.9030
328 RP7 0.9029
329 PYC 0.9029
330 NBZ 0.9028
331 GOL 0.9026
332 XBZ 0.9026
333 2A7 0.9026
334 MBD 0.9026
335 HMH 0.9025
336 23A 0.9024
337 RSO 0.9024
338 ADE 0.9024
339 IDM 0.9024
340 BDR 0.9023
341 CRN 0.9022
342 DMG 0.9022
343 275 0.9022
344 DAL 0.9020
345 PXY 0.9019
346 FBA 0.9019
347 OXM 0.9018
348 MRY 0.9017
349 HT4 0.9016
350 4HS 0.9015
351 34A 0.9015
352 XYD 0.9015
353 7HP 0.9015
354 TZC 0.9014
355 2PC 0.9012
356 OXL 0.9009
357 3MT 0.9008
358 UNU 0.9005
359 4VP 0.9003
360 2OP 0.8997
361 S76 0.8995
362 ICP 0.8993
363 MWJ 0.8993
364 32O 0.8993
365 PYD 0.8993
366 HMU 0.8991
367 DTU 0.8989
368 2MH 0.8989
369 C2N 0.8989
370 9DA 0.8987
371 XYP 0.8987
372 ILE 0.8981
373 1SP 0.8980
374 IOM 0.8979
375 TM7 0.8977
376 UGC 0.8975
377 MLT 0.8973
378 C21 0.8971
379 SS1 0.8970
380 MWM 0.8970
381 2CM 0.8970
382 GVH 0.8969
383 10L 0.8969
384 2C9 0.8969
385 4JN 0.8968
386 ASP 0.8967
387 BTE 0.8966
388 T2C 0.8966
389 SAR 0.8960
390 9HX 0.8957
391 7MH 0.8957
392 273 0.8956
393 AGK 0.8955
394 CSS 0.8955
395 C2B 0.8954
396 SWD 0.8954
397 TH0 0.8954
398 4JP 0.8954
399 SGL 0.8953
400 PM6 0.8953
401 AC5 0.8953
402 ITN 0.8950
403 PZI 0.8948
404 JZ9 0.8948
405 NMJ 0.8946
406 RUU 0.8945
407 1PT 0.8943
408 DEN 0.8941
409 9TY 0.8941
410 3MH 0.8940
411 2MP 0.8940
412 MRZ 0.8940
413 GIF 0.8939
414 7WV 0.8938
415 94N 0.8938
416 JAB 0.8935
417 IOL 0.8934
418 6SP 0.8934
419 ALA 0.8930
420 3GR 0.8927
421 HGY 0.8927
422 43M 0.8926
423 0R1 0.8924
424 LER 0.8924
425 Y8I 0.8923
426 YCP 0.8922
427 4JO 0.8921
428 LZ1 0.8919
429 IND 0.8918
430 BZF 0.8917
431 JBE 0.8917
432 ASN 0.8915
433 ES4 0.8914
434 5MH 0.8914
435 5UC 0.8912
436 7N0 0.8912
437 IQ0 0.8911
438 XYS 0.8910
439 BZI 0.8910
440 6MP 0.8909
441 TP5 0.8909
442 TLD 0.8907
443 MPI 0.8907
444 NAK 0.8906
445 7WA 0.8904
446 T6C 0.8900
447 8H8 0.8899
448 COI 0.8896
449 HIO 0.8896
450 TCZ 0.8893
451 CIZ 0.8893
452 XAN 0.8893
453 MET 0.8890
454 ARA 0.8888
455 P3K 0.8886
456 GXV 0.8885
457 IT2 0.8885
458 J1Z 0.8885
459 EGD 0.8880
460 ARW 0.8879
461 CXF 0.8875
462 SR1 0.8874
463 8EZ 0.8872
464 4JM 0.8871
465 8GC 0.8870
466 FLA 0.8868
467 KOJ 0.8868
468 VAH 0.8866
469 TH7 0.8866
470 BP1 0.8866
471 GUN 0.8865
472 BZX 0.8865
473 6M4 0.8863
474 PAE 0.8863
475 MZG 0.8860
476 NSP 0.8858
477 KP6 0.8858
478 HYP 0.8858
479 ICN 0.8856
480 UY7 0.8852
481 64K 0.8847
482 H8N 0.8845
483 CP 0.8841
484 DTT 0.8837
485 DTL 0.8835
486 4DX 0.8832
487 SRT 0.8832
488 0CT 0.8830
489 BAE 0.8830
490 C5J 0.8828
491 3AB 0.8827
492 265 0.8826
493 DPR 0.8826
494 HDA 0.8826
495 ICF 0.8825
496 LEU 0.8824
497 PHB 0.8824
498 PRS 0.8823
499 BAL 0.8822
500 9DG 0.8820
501 ORN 0.8819
502 OXD 0.8818
503 MAN 0.8817
504 RIP 0.8814
505 1DQ 0.8814
506 FBV 0.8814
507 NXA 0.8809
508 THE 0.8804
509 3HB 0.8804
510 34V 0.8802
511 MEU 0.8800
512 ARB 0.8799
513 HLT 0.8798
514 AUD 0.8798
515 MAE 0.8798
516 4XR 0.8797
517 DAS 0.8792
518 6HQ 0.8791
519 DMJ 0.8791
520 LRH 0.8790
521 IUR 0.8790
522 53C 0.8790
523 TLA 0.8787
524 TEO 0.8786
525 OEM 0.8786
526 CMS 0.8783
527 TAR 0.8781
528 4ZC 0.8781
529 3ZS 0.8777
530 2K4 0.8776
531 TF4 0.8776
532 FAN 0.8771
533 NCM 0.8765
534 FB1 0.8764
535 GAB 0.8764
536 CHT 0.8761
537 HX3 0.8760
538 2HA 0.8759
539 AZA 0.8758
540 6AP 0.8757
541 0MK 0.8755
542 AAE 0.8755
543 DX4 0.8754
544 6F0 0.8754
545 A2F 0.8749
546 GYE 0.8744
547 3HR 0.8742
548 290 0.8742
549 EHM 0.8740
550 5H1 0.8738
551 DCL 0.8738
552 PAF 0.8736
553 G4D 0.8735
554 HH5 0.8733
555 SIN 0.8733
556 14J 0.8731
557 6AI 0.8731
558 RHU 0.8731
559 AZG 0.8731
560 CFP 0.8730
561 GRE 0.8728
562 3HL 0.8723
563 6M1 0.8720
564 ORO 0.8717
565 QY9 0.8717
566 DBH 0.8715
567 3OH 0.8714
568 5RG 0.8713
569 3F0 0.8711
570 SSN 0.8711
571 3NT 0.8707
572 3HA 0.8706
573 14O 0.8705
574 KPL 0.8704
575 0CU 0.8704
576 FEH 0.8703
577 DFU 0.8703
578 HZP 0.8702
579 F05 0.8702
580 BUQ 0.8701
581 1XM 0.8698
582 XLS 0.8697
583 141 0.8695
584 TBP 0.8692
585 9TZ 0.8685
586 1DJ 0.8685
587 6LW 0.8683
588 5NU 0.8680
589 MMU 0.8678
590 98J 0.8678
591 2ZV 0.8676
592 XAP 0.8674
593 3M0 0.8669
594 RBJ 0.8668
595 7HQ 0.8667
596 YTB 0.8665
597 HHA 0.8663
598 ABE 0.8663
599 M6W 0.8662
600 ABU 0.8659
601 270 0.8658
602 IPB 0.8658
603 DOR 0.8657
604 1P3 0.8653
605 JYD 0.8652
606 L3Q 0.8651
607 SVN 0.8650
608 GTQ 0.8648
609 MED 0.8648
610 MXN 0.8648
611 4CS 0.8647
612 FJO 0.8646
613 LYL 0.8645
614 OVV 0.8642
615 FUC 0.8642
616 5Y9 0.8640
617 KMT 0.8639
618 9EW 0.8638
619 GOO 0.8637
620 FUL 0.8637
621 5MB 0.8636
622 Z82 0.8636
623 XUL 0.8633
624 PYM 0.8632
625 3OC 0.8632
626 PAV 0.8628
627 SLP 0.8626
628 UYA 0.8624
629 PRZ 0.8620
630 I3A 0.8619
631 I1E 0.8618
632 ODV 0.8618
633 IZC 0.8618
634 MTG 0.8615
635 Q88 0.8615
636 EV0 0.8614
637 BMD 0.8613
638 OHP 0.8611
639 TZL 0.8609
640 23B 0.8607
641 BTL 0.8603
642 5CU 0.8601
643 SNE 0.8601
644 SC2 0.8600
645 5M0 0.8600
646 MSN 0.8600
647 I4B 0.8598
648 XM0 0.8595
649 7CZ 0.8592
650 54G 0.8587
651 FA0 0.8585
652 ISZ 0.8581
653 5MI 0.8580
654 AS3 0.8570
655 PEP 0.8568
656 0TR 0.8566
657 3BZ 0.8565
658 5MK 0.8558
659 YRL 0.8558
660 AEF 0.8549
661 2TQ 0.8542
662 BNZ 0.8539
663 3DO 0.8533
664 FB2 0.8531
665 0PY 0.8522
666 P1R 0.8520
667 B20 0.8519
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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