Receptor
PDB id Resolution Class Description Source Keywords
2RC0 1.5 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE W191G IN COMPLEX WITH 2-IMINO-4- METHYLPIPERDINE 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
284 X:2001;
 Valid;
 none;
 submit data
112.173 C6 H12 N2 C[C@H...
HEM X:400;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
PO4 X:1001;
X:1002;
 Invalid;
Invalid;
 none;
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: 284; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 284 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 284; Similar ligands found: 820
No: Ligand Similarity coefficient
1 LG3 1.0000
2 8GF 1.0000
3 4H2 1.0000
4 M3T 1.0000
5 3CH 1.0000
6 BVF 1.0000
7 LG5 1.0000
8 HEW 1.0000
9 CIG 1.0000
10 26D 1.0000
11 HGQ 1.0000
12 B3R 1.0000
13 URA 1.0000
14 CRS 1.0000
15 RCO 1.0000
16 CYT 0.9984
17 HHQ 0.9964
18 IDH 0.9929
19 E60 0.9866
20 24T 0.9848
21 CEJ 0.9826
22 HPY 0.9799
23 13X 0.9768
24 3AY 0.9746
25 PYG 0.9746
26 5ZE 0.9745
27 MCT 0.9740
28 2MY 0.9739
29 AX2 0.9736
30 MWM 0.9732
31 RP7 0.9731
32 6MH 0.9728
33 MBD 0.9724
34 URF 0.9722
35 DUC 0.9722
36 2C9 0.9721
37 6UA 0.9718
38 5JC 0.9717
39 XBZ 0.9714
40 2YU 0.9714
41 DUB 0.9712
42 2CM 0.9708
43 4ZE 0.9708
44 TM7 0.9707
45 4HO 0.9706
46 GMN 0.9705
47 2AC 0.9705
48 2ZX 0.9705
49 5AN 0.9704
50 MBN 0.9703
51 3FA 0.9702
52 3MC 0.9698
53 FFP 0.9697
54 HT4 0.9697
55 9PO 0.9694
56 WDL 0.9694
57 275 0.9693
58 FLM 0.9693
59 3CE 0.9689
60 2MP 0.9687
61 IPH 0.9685
62 WBU 0.9684
63 TM4 0.9684
64 34A 0.9684
65 8LG 0.9682
66 CXL 0.9680
67 HYN 0.9676
68 1MC 0.9675
69 BR8 0.9673
70 4JJ 0.9673
71 4CL 0.9673
72 5MH 0.9671
73 MZG 0.9671
74 XYD 0.9671
75 A1U 0.9670
76 TDR 0.9669
77 43M 0.9669
78 GXE 0.9660
79 3MH 0.9660
80 3AP 0.9656
81 PYD 0.9654
82 ICP 0.9654
83 QOS 0.9653
84 8CL 0.9651
85 TH0 0.9651
86 HVK 0.9647
87 2DR 0.9646
88 1AN 0.9645
89 BR9 0.9644
90 FP2 0.9643
91 BEW 0.9643
92 CAQ 0.9640
93 JZ2 0.9638
94 MWJ 0.9637
95 WOT 0.9635
96 2AP 0.9634
97 HRZ 0.9633
98 92Z 0.9631
99 2AF 0.9627
100 5UC 0.9627
101 27Y 0.9626
102 M2H 0.9625
103 4AP 0.9618
104 MLA 0.9616
105 25T 0.9614
106 47J 0.9613
107 JZ3 0.9613
108 76X 0.9611
109 ERH 0.9602
110 CYH 0.9597
111 MLM 0.9596
112 MLI 0.9596
113 282 0.9591
114 TTO 0.9582
115 94N 0.9581
116 C2A 0.9579
117 TLD 0.9577
118 93Q 0.9574
119 L89 0.9573
120 23A 0.9572
121 Y8I 0.9568
122 A2Q 0.9560
123 2IM 0.9559
124 23W 0.9558
125 HTS 0.9558
126 TCZ 0.9557
127 LGA 0.9550
128 V1L 0.9549
129 HAI 0.9548
130 PYF 0.9545
131 OXE 0.9544
132 KSW 0.9543
133 4JO 0.9542
134 H3M 0.9542
135 HBX 0.9541
136 NK 0.9540
137 938 0.9539
138 2CH 0.9536
139 MB3 0.9535
140 TMT 0.9533
141 ICC 0.9531
142 R8S 0.9530
143 HHN 0.9527
144 IUR 0.9524
145 L60 0.9524
146 JZ0 0.9522
147 ECE 0.9516
148 93B 0.9514
149 MZW 0.9507
150 RSF 0.9503
151 0R0 0.9501
152 DTI 0.9500
153 C5J 0.9491
154 XIX 0.9490
155 6X8 0.9485
156 2KT 0.9485
157 XYS 0.9480
158 ADE 0.9478
159 SYN 0.9476
160 O7U 0.9465
161 GBD 0.9461
162 PIH 0.9461
163 GAG 0.9457
164 285 0.9456
165 7EX 0.9453
166 4ZC 0.9450
167 HGW 0.9443
168 XYP 0.9442
169 60P 0.9441
170 IFM 0.9440
171 1DH 0.9440
172 7HP 0.9438
173 40O 0.9438
174 OXQ 0.9437
175 YAN 0.9432
176 R8A 0.9430
177 286 0.9426
178 6MP 0.9424
179 TMZ 0.9422
180 BTE 0.9418
181 280 0.9417
182 PM6 0.9414
183 3Z7 0.9412
184 HPA 0.9411
185 MMZ 0.9411
186 0TR 0.9410
187 KG7 0.9409
188 1XX 0.9407
189 3ZQ 0.9407
190 IND 0.9406
191 DEN 0.9405
192 5AC 0.9405
193 P3K 0.9405
194 9DA 0.9401
195 J1Z 0.9400
196 9HX 0.9398
197 DXX 0.9394
198 ABN 0.9394
199 FPI 0.9391
200 1MR 0.9390
201 2A7 0.9390
202 SWD 0.9388
203 1DW 0.9381
204 0CT 0.9377
205 DMG 0.9375
206 BP1 0.9374
207 GVH 0.9371
208 BZF 0.9370
209 0R1 0.9370
210 10L 0.9364
211 AMC 0.9361
212 FPY 0.9361
213 MAK 0.9356
214 PLQ 0.9356
215 JZ1 0.9353
216 278 0.9353
217 BZI 0.9352
218 7WA 0.9351
219 ES4 0.9350
220 4DX 0.9350
221 Z6J 0.9348
222 P2D 0.9346
223 LER 0.9345
224 DFB 0.9343
225 R2B 0.9342
226 IDM 0.9342
227 AGK 0.9341
228 SAL 0.9341
229 MPI 0.9340
230 PCR 0.9338
231 S76 0.9335
232 4JP 0.9335
233 7MH 0.9334
234 35C 0.9332
235 AAE 0.9332
236 6AI 0.9329
237 3PY 0.9328
238 AZF 0.9327
239 1AB 0.9325
240 H76 0.9323
241 LZ1 0.9322
242 JZ9 0.9321
243 PYJ 0.9321
244 F05 0.9321
245 EDG 0.9319
246 FPN 0.9319
247 4XX 0.9319
248 PXY 0.9319
249 OXZ 0.9316
250 APY 0.9315
251 DA1 0.9315
252 BZX 0.9314
253 GIF 0.9312
254 DMI 0.9312
255 PY7 0.9311
256 HQE 0.9311
257 NBE 0.9310
258 9EW 0.9309
259 T6C 0.9307
260 NMJ 0.9305
261 ARA 0.9298
262 7CZ 0.9297
263 DTL 0.9296
264 AHR 0.9294
265 B24 0.9293
266 HLR 0.9291
267 JBE 0.9288
268 FYU 0.9286
269 HSL 0.9286
270 5MB 0.9285
271 ASP 0.9283
272 14O 0.9280
273 4AX 0.9280
274 OHG 0.9278
275 9CL 0.9275
276 2K4 0.9270
277 ES6 0.9270
278 LG4 0.9269
279 BE2 0.9269
280 5H1 0.9268
281 25R 0.9266
282 ES9 0.9263
283 YHO 0.9262
284 MLT 0.9262
285 3U4 0.9262
286 BML 0.9260
287 5MI 0.9260
288 SVN 0.9255
289 4SV 0.9252
290 F60 0.9251
291 F81 0.9250
292 NVI 0.9240
293 BAQ 0.9237
294 BVC 0.9237
295 HY3 0.9232
296 FW5 0.9225
297 3NT 0.9223
298 11S 0.9223
299 TBP 0.9220
300 0RW 0.9220
301 DGY 0.9218
302 3HB 0.9217
303 5HN 0.9215
304 3XX 0.9215
305 PRO 0.9208
306 2PC 0.9208
307 265 0.9207
308 SMV 0.9207
309 H4N 0.9206
310 ZZ3 0.9205
311 GAB 0.9205
312 4CH 0.9205
313 0MK 0.9203
314 RIB 0.9203
315 53C 0.9202
316 4JN 0.9202
317 ATQ 0.9201
318 SER 0.9200
319 DAB 0.9197
320 PYC 0.9195
321 4HS 0.9195
322 2XX 0.9194
323 1PT 0.9193
324 HX3 0.9191
325 AUD 0.9189
326 DSN 0.9188
327 FOA 0.9186
328 FK1 0.9185
329 KOJ 0.9183
330 OVV 0.9181
331 2CQ 0.9180
332 TAR 0.9178
333 CYS 0.9178
334 2RA 0.9178
335 150 0.9178
336 3AB 0.9175
337 TP5 0.9175
338 DBB 0.9172
339 A3B 0.9172
340 6M9 0.9171
341 AMT 0.9171
342 1WG 0.9170
343 LXC 0.9170
344 8GC 0.9165
345 SMB 0.9165
346 6HQ 0.9164
347 ZZT 0.9163
348 NCA 0.9163
349 LMR 0.9162
350 MRY 0.9160
351 F4Z 0.9159
352 LDU 0.9159
353 HMH 0.9158
354 FUC 0.9153
355 A2F 0.9153
356 RIP 0.9152
357 MZ0 0.9152
358 1WD 0.9151
359 AZA 0.9148
360 9X7 0.9147
361 C21 0.9146
362 6AP 0.9146
363 IGA 0.9145
364 JAB 0.9144
365 2MH 0.9142
366 NBZ 0.9142
367 ABA 0.9139
368 GUN 0.9138
369 XQG 0.9137
370 ARB 0.9136
371 HDA 0.9135
372 6M4 0.9134
373 TC7 0.9133
374 9DG 0.9133
375 THR 0.9133
376 ABE 0.9132
377 GBL 0.9132
378 JIF 0.9130
379 DFU 0.9130
380 64K 0.9130
381 BEZ 0.9129
382 HIU 0.9128
383 03W 0.9128
384 XAN 0.9128
385 TZC 0.9128
386 AZG 0.9127
387 HUI 0.9126
388 BOA 0.9126
389 BVG 0.9126
390 YH7 0.9125
391 8NY 0.9125
392 JKE 0.9125
393 JAE 0.9124
394 3BZ 0.9123
395 4JU 0.9123
396 5RG 0.9122
397 WCE 0.9121
398 290 0.9120
399 VAL 0.9120
400 ALO 0.9119
401 PZA 0.9118
402 45C 0.9117
403 TFB 0.9115
404 BEN 0.9114
405 3TR 0.9114
406 PAE 0.9113
407 JBN 0.9109
408 VNJ 0.9109
409 3MT 0.9108
410 141 0.9108
411 HBA 0.9108
412 OXL 0.9107
413 PCA 0.9106
414 FUL 0.9106
415 GTQ 0.9105
416 SGL 0.9103
417 GOL 0.9101
418 KIV 0.9101
419 54G 0.9100
420 4CS 0.9098
421 VGL 0.9098
422 IVA 0.9095
423 PRS 0.9095
424 1XM 0.9092
425 CRN 0.9089
426 DX4 0.9088
427 QUZ 0.9086
428 BRT 0.9084
429 FUF 0.9081
430 5M0 0.9081
431 4VP 0.9081
432 M1E 0.9079
433 NEQ 0.9078
434 AC0 0.9074
435 6GU 0.9073
436 BCP 0.9072
437 3SK 0.9072
438 IOL 0.9072
439 6PC 0.9071
440 4XR 0.9070
441 NIO 0.9069
442 BP9 0.9069
443 HMU 0.9068
444 3DM 0.9068
445 R1X 0.9067
446 7WV 0.9063
447 9TY 0.9063
448 6SP 0.9063
449 CFP 0.9061
450 FPK 0.9061
451 14J 0.9060
452 JFD 0.9060
453 7HQ 0.9057
454 0CU 0.9057
455 JZ5 0.9057
456 PHB 0.9055
457 39J 0.9054
458 SSN 0.9053
459 1CB 0.9053
460 HYP 0.9051
461 I3A 0.9047
462 F0J 0.9047
463 32O 0.9045
464 NPY 0.9041
465 DIE 0.9041
466 OAA 0.9041
467 8H8 0.9040
468 5MK 0.9039
469 1AC 0.9038
470 DTT 0.9035
471 6JN 0.9034
472 TZE 0.9032
473 9YL 0.9031
474 HZP 0.9030
475 270 0.9029
476 HVQ 0.9028
477 URP 0.9027
478 MAE 0.9026
479 TLA 0.9025
480 FCA 0.9025
481 IMR 0.9025
482 HOW 0.9025
483 3OC 0.9025
484 IP0 0.9024
485 BAM 0.9022
486 3MA 0.9021
487 QSC 0.9020
488 FP1 0.9020
489 1DU 0.9019
490 7WG 0.9018
491 P92 0.9017
492 IQ0 0.9017
493 UNU 0.9017
494 Q88 0.9017
495 SS2 0.9010
496 C2N 0.9010
497 98J 0.9009
498 MR3 0.9007
499 MZY 0.9005
500 JBK 0.9005
501 NTN 0.9004
502 2MI 0.9004
503 PYR 0.9004
504 CIZ 0.9002
505 CP 0.8999
506 V55 0.8999
507 SX1 0.8998
508 9TZ 0.8996
509 YTB 0.8996
510 1MZ 0.8995
511 2MZ 0.8995
512 AX7 0.8987
513 EUG 0.8987
514 4M4 0.8987
515 2AI 0.8985
516 261 0.8984
517 AKB 0.8982
518 1P3 0.8982
519 ASN 0.8979
520 DCY 0.8978
521 9X6 0.8974
522 YCP 0.8972
523 OXM 0.8972
524 DBH 0.8970
525 51F 0.8969
526 1XN 0.8967
527 OXD 0.8967
528 3HA 0.8967
529 FUB 0.8966
530 3M0 0.8965
531 PAF 0.8965
532 JZ4 0.8964
533 192 0.8964
534 HH5 0.8964
535 4MZ 0.8962
536 ES0 0.8962
537 3F0 0.8961
538 2LP 0.8961
539 TH7 0.8961
540 IHG 0.8960
541 M58 0.8960
542 FAN 0.8959
543 PBE 0.8959
544 4SD 0.8959
545 HSE 0.8953
546 24B 0.8953
547 CWM 0.8953
548 PBC 0.8952
549 PRI 0.8952
550 5MP 0.8951
551 5Q0 0.8950
552 4HM 0.8949
553 6LW 0.8949
554 ZBT 0.8947
555 12M 0.8947
556 JZ6 0.8945
557 ABV 0.8943
558 URQ 0.8941
559 5SG 0.8939
560 UGC 0.8939
561 DTU 0.8938
562 BYZ 0.8936
563 3GR 0.8935
564 HIO 0.8935
565 5OB 0.8935
566 1LQ 0.8934
567 2CK 0.8933
568 1NP 0.8932
569 SS1 0.8931
570 FQI 0.8929
571 1SP 0.8929
572 4YS 0.8927
573 XUL 0.8926
574 N5J 0.8924
575 5KX 0.8924
576 1P7 0.8923
577 TMH 0.8921
578 HQY 0.8921
579 B20 0.8921
580 SEJ 0.8921
581 XBT 0.8919
582 M1A 0.8918
583 ES1 0.8918
584 GXV 0.8913
585 FBA 0.8913
586 JPZ 0.8912
587 82I 0.8911
588 1SQ 0.8910
589 NSP 0.8910
590 KPL 0.8909
591 LZM 0.8909
592 69O 0.8908
593 G4D 0.8908
594 NVA 0.8907
595 KYD 0.8907
596 ES3 0.8907
597 RM4 0.8906
598 5IQ 0.8906
599 ITN 0.8906
600 5NU 0.8904
601 JZ7 0.8903
602 MFB 0.8903
603 BNZ 0.8902
604 RB5 0.8899
605 XYL 0.8899
606 5B1 0.8899
607 25W 0.8896
608 DIG 0.8890
609 6CS 0.8889
610 2EZ 0.8888
611 MRZ 0.8887
612 BNS 0.8885
613 273 0.8879
614 RNS 0.8879
615 G6D 0.8878
616 3MB 0.8878
617 IOM 0.8878
618 NXA 0.8872
619 DAS 0.8871
620 24W 0.8871
621 TEO 0.8870
622 PYZ 0.8868
623 4JM 0.8867
624 ORO 0.8867
625 OVM 0.8864
626 4XH 0.8863
627 42A 0.8861
628 FLA 0.8860
629 FCB 0.8857
630 HCS 0.8857
631 7B4 0.8856
632 S0H 0.8854
633 H8N 0.8853
634 GIO 0.8852
635 BAE 0.8851
636 0PY 0.8851
637 PHZ 0.8851
638 8EZ 0.8851
639 XRG 0.8849
640 67N 0.8849
641 GOO 0.8848
642 GRE 0.8848
643 IT2 0.8848
644 NOJ 0.8845
645 I2M 0.8843
646 MAN 0.8841
647 8EW 0.8841
648 SJ5 0.8841
649 UY7 0.8840
650 BUO 0.8838
651 RAM 0.8838
652 BSX 0.8837
653 P1R 0.8837
654 BZ3 0.8835
655 DOR 0.8832
656 5CU 0.8832
657 3V4 0.8831
658 G2F 0.8830
659 DMJ 0.8829
660 OXC 0.8827
661 OW4 0.8826
662 3OH 0.8823
663 ILE 0.8823
664 1LN 0.8822
665 XM0 0.8821
666 6F0 0.8819
667 DOB 0.8818
668 SIN 0.8816
669 3DO 0.8814
670 IPZ 0.8813
671 BHA 0.8812
672 LAC 0.8812
673 4JL 0.8811
674 LCN 0.8810
675 4M0 0.8809
676 XXR 0.8805
677 L3Q 0.8801
678 D1X 0.8801
679 FA0 0.8800
680 BAL 0.8797
681 GLC 0.8796
682 ADZ 0.8796
683 II6 0.8796
684 DGJ 0.8796
685 DCD 0.8794
686 EGD 0.8793
687 RSO 0.8793
688 DHB 0.8792
689 MNM 0.8787
690 PRY 0.8787
691 NOY 0.8787
692 ASO 0.8786
693 40E 0.8786
694 TIU 0.8785
695 BUA 0.8784
696 F5B 0.8784
697 COU 0.8784
698 260 0.8779
699 CEE 0.8777
700 HY1 0.8773
701 T2C 0.8771
702 RUU 0.8770
703 34V 0.8769
704 TB6 0.8769
705 IFL 0.8766
706 7NI 0.8764
707 C2B 0.8764
708 AW5 0.8759
709 IF7 0.8759
710 34D 0.8756
711 GYE 0.8749
712 HGY 0.8749
713 42C 0.8744
714 RM1 0.8742
715 DMD 0.8741
716 LRH 0.8741
717 7VD 0.8737
718 Q6T 0.8735
719 SAR 0.8735
720 DPF 0.8734
721 B53 0.8732
722 BHO 0.8732
723 MR1 0.8730
724 6M1 0.8729
725 BMA 0.8728
726 9MG 0.8727
727 HSM 0.8724
728 CSS 0.8723
729 3ID 0.8722
730 EXO 0.8721
731 MYJ 0.8721
732 HHA 0.8719
733 4NC 0.8717
734 2OP 0.8714
735 PG0 0.8711
736 P9P 0.8710
737 TZZ 0.8708
738 PCT 0.8705
739 ARW 0.8704
740 AKH 0.8702
741 H42 0.8697
742 ALA 0.8697
743 3ZS 0.8694
744 XCZ 0.8694
745 XX2 0.8693
746 NPO 0.8693
747 XLS 0.8688
748 ODV 0.8688
749 3RK 0.8686
750 HXX 0.8686
751 OVP 0.8686
752 GAL 0.8682
753 SNE 0.8682
754 FOT 0.8681
755 271 0.8681
756 INO 0.8678
757 NCM 0.8677
758 1P8 0.8671
759 PEL 0.8671
760 PZI 0.8671
761 93K 0.8669
762 OEM 0.8667
763 DAL 0.8667
764 GLU 0.8666
765 AS3 0.8666
766 BGC 0.8661
767 C2U 0.8660
768 2HO 0.8659
769 1DQ 0.8656
770 N7P 0.8652
771 7N0 0.8648
772 PEA 0.8642
773 7VS 0.8640
774 717 0.8639
775 X6X 0.8638
776 NIZ 0.8636
777 IJZ 0.8635
778 5WX 0.8628
779 N8P 0.8627
780 WOO 0.8626
781 AKG 0.8625
782 NAK 0.8624
783 URC 0.8623
784 CHB 0.8623
785 SRT 0.8623
786 EV0 0.8618
787 4PW 0.8616
788 GLA 0.8615
789 ALQ 0.8614
790 9TW 0.8614
791 PKU 0.8606
792 CXF 0.8606
793 MSN 0.8603
794 FB1 0.8600
795 2TQ 0.8599
796 51R 0.8598
797 8TX 0.8595
798 SF9 0.8594
799 SHA 0.8590
800 DIU 0.8588
801 MET 0.8586
802 HBS 0.8574
803 KBG 0.8572
804 5RN 0.8568
805 Z82 0.8565
806 149 0.8564
807 SOE 0.8561
808 AC5 0.8559
809 2AL 0.8558
810 FRU 0.8555
811 KIA 0.8552
812 PAB 0.8551
813 SF6 0.8550
814 DPJ 0.8545
815 8S0 0.8544
816 ALL 0.8539
817 G3F 0.8538
818 ITU 0.8532
819 FCN 0.8530
820 PPV 0.8512
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
APoc FAQ
Feedback