Receptor
PDB id Resolution Class Description Source Keywords
2AS6 1.45 Å EC: 1.11.1.5 CYTOCHROME C PEROXIDASE IN COMPLEX WITH CYCLOPENTYLAMINE SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE PEROXIDASE MODEL BINDING SITE
Ref.: PROBING MOLECULAR DOCKING IN A CHARGED MODEL BINDING SITE. J.MOL.BIOL. V. 357 1449 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1CB A:500;
 Valid;
 none;
 submit data
85.148 C5 H11 N C1CCC...
HEM A: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: 1CB; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1CB 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 1CB; Similar ligands found: 377
No: Ligand Similarity coefficient
1 BAQ 1.0000
2 GBL 1.0000
3 3MT 0.9979
4 3TR 0.9962
5 MZY 0.9949
6 IPH 0.9946
7 AMT 0.9944
8 7EX 0.9916
9 5MP 0.9913
10 4MZ 0.9913
11 6SP 0.9910
12 MR3 0.9904
13 ATQ 0.9895
14 1MZ 0.9884
15 2MZ 0.9883
16 5KX 0.9878
17 HOW 0.9872
18 JZ6 0.9871
19 2IM 0.9868
20 2AI 0.9853
21 MBN 0.9837
22 2AP 0.9824
23 HVK 0.9824
24 3AP 0.9820
25 L60 0.9814
26 WOT 0.9808
27 93B 0.9807
28 HRZ 0.9803
29 4AP 0.9799
30 9PO 0.9795
31 GOA 0.9794
32 LGA 0.9793
33 ES3 0.9784
34 CYH 0.9784
35 CXL 0.9780
36 BYZ 0.9777
37 A2Q 0.9769
38 8CL 0.9759
39 V1L 0.9757
40 GXE 0.9755
41 OXL 0.9736
42 PYZ 0.9732
43 MZ0 0.9709
44 3ZS 0.9707
45 HAI 0.9696
46 TTO 0.9694
47 OXM 0.9680
48 HHN 0.9676
49 FAH 0.9672
50 NVI 0.9657
51 MB3 0.9647
52 KSW 0.9642
53 GLY 0.9640
54 PYR 0.9637
55 GOL 0.9634
56 PIH 0.9630
57 B20 0.9608
58 CEJ 0.9606
59 BNZ 0.9604
60 PPI 0.9602
61 OXD 0.9600
62 0PY 0.9598
63 HGW 0.9589
64 GLV 0.9585
65 2KT 0.9578
66 HAE 0.9576
67 NIE 0.9576
68 HYN 0.9574
69 P1R 0.9568
70 HVB 0.9564
71 LAC 0.9558
72 PHZ 0.9554
73 PRI 0.9547
74 BVC 0.9543
75 AKR 0.9538
76 R3W 0.9535
77 F50 0.9532
78 NHY 0.9529
79 HSL 0.9521
80 24T 0.9520
81 XAP 0.9514
82 F3V 0.9513
83 4AX 0.9512
84 AGU 0.9510
85 3OH 0.9503
86 HVQ 0.9495
87 BVG 0.9494
88 MMZ 0.9494
89 NMU 0.9488
90 25T 0.9486
91 XIX 0.9478
92 2EZ 0.9460
93 HGY 0.9459
94 AOA 0.9452
95 2OP 0.9439
96 MMU 0.9433
97 E60 0.9421
98 DAL 0.9419
99 NAK 0.9416
100 1DH 0.9408
101 DXX 0.9405
102 MLI 0.9400
103 PXO 0.9396
104 DTI 0.9391
105 ETF 0.9389
106 ALA 0.9384
107 BUA 0.9383
108 3PY 0.9376
109 MEU 0.9375
110 DMG 0.9374
111 MLA 0.9373
112 ATO 0.9371
113 DGY 0.9369
114 URA 0.9356
115 HUI 0.9355
116 PYM 0.9355
117 APY 0.9351
118 BUO 0.9347
119 DMI 0.9346
120 61G 0.9344
121 SER 0.9344
122 J3K 0.9339
123 KG7 0.9338
124 DSN 0.9332
125 SAR 0.9324
126 2HA 0.9323
127 BUQ 0.9321
128 HBS 0.9318
129 TSZ 0.9317
130 282 0.9309
131 BAL 0.9308
132 SMB 0.9307
133 26D 0.9301
134 280 0.9297
135 MLM 0.9296
136 1AC 0.9294
137 PZO 0.9292
138 HBR 0.9291
139 BXA 0.9286
140 ABN 0.9280
141 4CH 0.9279
142 HIU 0.9278
143 03W 0.9276
144 TRI 0.9270
145 3GR 0.9269
146 TAY 0.9269
147 2A1 0.9266
148 IMD 0.9265
149 HPY 0.9262
150 BMD 0.9259
151 SYN 0.9258
152 NIS 0.9254
153 HUH 0.9248
154 DE2 0.9242
155 BU4 0.9242
156 5Y9 0.9241
157 2A3 0.9240
158 ALQ 0.9239
159 LG3 0.9237
160 TMT 0.9234
161 CYS 0.9233
162 ICC 0.9232
163 MGX 0.9230
164 GXV 0.9229
165 A3B 0.9220
166 H3M 0.9220
167 NBE 0.9219
168 DUC 0.9217
169 8GF 0.9212
170 1MR 0.9211
171 C5J 0.9211
172 HBX 0.9210
173 RP7 0.9209
174 CRS 0.9207
175 ABA 0.9207
176 MTG 0.9206
177 PY7 0.9203
178 DBB 0.9202
179 CYT 0.9202
180 285 0.9202
181 2RA 0.9201
182 RCO 0.9200
183 4JU 0.9197
184 TMZ 0.9197
185 278 0.9196
186 9CL 0.9191
187 ECE 0.9186
188 AMC 0.9176
189 THR 0.9175
190 B24 0.9174
191 HGQ 0.9171
192 39J 0.9170
193 DCY 0.9169
194 3BB 0.9167
195 FW5 0.9166
196 4XX 0.9165
197 PYF 0.9165
198 LG5 0.9164
199 BRP 0.9161
200 4JN 0.9160
201 FPI 0.9159
202 3ZQ 0.9158
203 BVF 0.9155
204 PCR 0.9153
205 ALF 0.9151
206 3CH 0.9150
207 9A4 0.9149
208 PYJ 0.9140
209 CIG 0.9133
210 4DX 0.9128
211 DA1 0.9127
212 IDH 0.9127
213 LG4 0.9126
214 25R 0.9126
215 PLQ 0.9121
216 HQE 0.9120
217 2MH 0.9119
218 BEW 0.9114
219 PXY 0.9110
220 B3R 0.9108
221 HHQ 0.9107
222 PPF 0.9107
223 BML 0.9106
224 HEW 0.9106
225 1BP 0.9102
226 FPN 0.9100
227 IOL 0.9099
228 3CL 0.9092
229 HLT 0.9092
230 CAQ 0.9090
231 C2N 0.9082
232 NCM 0.9081
233 2CH 0.9081
234 4HS 0.9081
235 TCV 0.9081
236 M3T 0.9080
237 CHT 0.9077
238 SLP 0.9077
239 92Z 0.9073
240 4H2 0.9069
241 TF4 0.9060
242 FP2 0.9053
243 284 0.9053
244 8LG 0.9053
245 1AN 0.9052
246 P2D 0.9050
247 ITU 0.9050
248 BXO 0.9047
249 HSW 0.9032
250 CRD 0.9028
251 2AF 0.9026
252 AAE 0.9025
253 93Q 0.9025
254 L89 0.9023
255 BUB 0.9014
256 2HE 0.9012
257 6X8 0.9008
258 76X 0.9006
259 938 0.9004
260 TAN 0.9003
261 40O 0.9001
262 CNH 0.8998
263 PRO 0.8982
264 J1Z 0.8970
265 3HL 0.8966
266 FJO 0.8965
267 OXE 0.8961
268 MAK 0.8957
269 HTS 0.8943
270 TFB 0.8928
271 MRY 0.8925
272 KIV 0.8925
273 VAL 0.8921
274 AKB 0.8919
275 CP2 0.8918
276 MSF 0.8916
277 1SP 0.8914
278 OHG 0.8911
279 JBN 0.8907
280 2PC 0.8905
281 192 0.8890
282 3HR 0.8885
283 DPR 0.8877
284 IVA 0.8874
285 ALO 0.8869
286 VSO 0.8865
287 TZC 0.8852
288 YAN 0.8850
289 HV2 0.8848
290 BP9 0.8848
291 T2C 0.8847
292 23W 0.8842
293 D2P 0.8841
294 SGL 0.8839
295 1DU 0.8837
296 SSN 0.8837
297 TB0 0.8825
298 FOA 0.8822
299 9X7 0.8821
300 LER 0.8818
301 PYC 0.8813
302 IQ0 0.8807
303 JZ3 0.8803
304 JZ0 0.8800
305 1AB 0.8799
306 PUT 0.8796
307 3MC 0.8791
308 R2B 0.8790
309 AF3 0.8786
310 ETM 0.8783
311 8X3 0.8782
312 273 0.8777
313 TAU 0.8768
314 PAE 0.8766
315 EDG 0.8764
316 SMV 0.8757
317 JZ5 0.8755
318 R8A 0.8754
319 HCS 0.8754
320 MTD 0.8745
321 TP5 0.8734
322 3FA 0.8733
323 BAE 0.8733
324 PYG 0.8730
325 URF 0.8729
326 YHO 0.8728
327 69O 0.8727
328 POA 0.8725
329 RSF 0.8718
330 TDR 0.8717
331 MBD 0.8715
332 WBU 0.8711
333 6MH 0.8708
334 PRS 0.8707
335 51F 0.8704
336 BTL 0.8703
337 HSE 0.8699
338 NK 0.8695
339 XPO 0.8695
340 HSM 0.8692
341 1XX 0.8691
342 2C9 0.8687
343 ACT 0.8685
344 1MC 0.8684
345 286 0.8684
346 ACM 0.8682
347 C21 0.8679
348 LDU 0.8673
349 4HO 0.8669
350 DTU 0.8668
351 MCT 0.8667
352 GVH 0.8665
353 CP 0.8657
354 5AC 0.8656
355 JZ1 0.8652
356 NEQ 0.8647
357 IDM 0.8645
358 BEN 0.8640
359 NVA 0.8638
360 MAE 0.8634
361 M58 0.8629
362 BEZ 0.8626
363 SS1 0.8612
364 COM 0.8611
365 MZW 0.8597
366 FPY 0.8594
367 0R0 0.8593
368 CSS 0.8590
369 4JL 0.8585
370 HY3 0.8580
371 QSC 0.8578
372 ICN 0.8566
373 JZ9 0.8564
374 GAG 0.8563
375 NIO 0.8561
376 BAM 0.8549
377 2DR 0.8528
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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