Receptor
PDB id Resolution Class Description Source Keywords
2EUQ 1.3 Å EC: 1.11.1.5 CYTOCHROME C PEROXYDASE (CCP) IN COMPLEX WITH 3- THIENYLMETHYLAMINE SACCHAROMYCES CEREVISIAE ENGINEERED LIGAND BINDING SITE OXIDOREDUCTASE
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
BVC A:401;
Valid;
none;
Kd = 0.05 mM
113.181 C5 H7 N 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: BVC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 BVC 1 1
2 HVQ 0.538462 0.9375
Similar Ligands (3D)
Ligand no: 1; Ligand: BVC; Similar ligands found: 697
No: Ligand Similarity coefficient
1 NVI 1.0000
2 MZ0 0.9922
3 ABN 0.9864
4 HBX 0.9860
5 2EZ 0.9854
6 PRI 0.9845
7 BVG 0.9825
8 AMC 0.9821
9 SYN 0.9818
10 PYJ 0.9776
11 9CL 0.9735
12 PY7 0.9735
13 MLA 0.9713
14 OHG 0.9708
15 B24 0.9701
16 PYC 0.9682
17 APY 0.9681
18 MLI 0.9676
19 FPI 0.9673
20 282 0.9669
21 TZC 0.9664
22 HAI 0.9633
23 1MR 0.9629
24 93B 0.9628
25 PRO 0.9618
26 PYF 0.9603
27 C5J 0.9603
28 CYH 0.9592
29 CXL 0.9592
30 IPH 0.9579
31 2PC 0.9573
32 JZ5 0.9569
33 2KT 0.9568
34 1DU 0.9566
35 ATQ 0.9556
36 3PY 0.9553
37 MZW 0.9552
38 DMG 0.9551
39 BUA 0.9546
40 A2Q 0.9545
41 1CB 0.9543
42 BP9 0.9541
43 GXE 0.9538
44 JBN 0.9536
45 PZA 0.9527
46 CEJ 0.9526
47 EGD 0.9526
48 2IM 0.9525
49 280 0.9524
50 MBN 0.9520
51 HSM 0.9508
52 8CL 0.9506
53 BAM 0.9497
54 BAQ 0.9496
55 HHN 0.9495
56 XAP 0.9495
57 BEZ 0.9491
58 MZY 0.9490
59 JZ6 0.9488
60 V1L 0.9488
61 BAL 0.9474
62 FW5 0.9472
63 DGY 0.9471
64 BEN 0.9471
65 HVK 0.9470
66 TFB 0.9469
67 4HA 0.9468
68 TTO 0.9461
69 WOT 0.9460
70 LGA 0.9460
71 3AP 0.9459
72 AAE 0.9458
73 7EX 0.9455
74 GOL 0.9454
75 2AP 0.9453
76 4AP 0.9443
77 NBE 0.9442
78 3MT 0.9442
79 5KX 0.9440
80 6SP 0.9438
81 FOA 0.9437
82 L60 0.9436
83 SAR 0.9434
84 4MZ 0.9430
85 SMB 0.9429
86 KG7 0.9429
87 GBL 0.9427
88 NCA 0.9426
89 9X7 0.9426
90 HRZ 0.9423
91 SMV 0.9423
92 24T 0.9421
93 ES3 0.9420
94 H3M 0.9418
95 3TR 0.9417
96 NIO 0.9417
97 HGW 0.9416
98 BYZ 0.9415
99 MR3 0.9414
100 PIH 0.9414
101 03W 0.9412
102 3GR 0.9411
103 2MZ 0.9410
104 9PO 0.9410
105 IVA 0.9405
106 5MP 0.9404
107 P2D 0.9403
108 1MZ 0.9400
109 265 0.9400
110 HY1 0.9399
111 OXL 0.9398
112 HUI 0.9397
113 278 0.9397
114 E60 0.9392
115 CYS 0.9390
116 HYN 0.9390
117 NBZ 0.9387
118 6PC 0.9385
119 PRS 0.9380
120 HIU 0.9377
121 GXV 0.9373
122 PBC 0.9372
123 26D 0.9372
124 JAB 0.9371
125 PYZ 0.9370
126 BU4 0.9367
127 25T 0.9365
128 URA 0.9364
129 HOW 0.9361
130 TP5 0.9361
131 271 0.9360
132 C21 0.9360
133 HCS 0.9357
134 SS1 0.9351
135 XIX 0.9351
136 DXX 0.9347
137 UNU 0.9347
138 MLM 0.9345
139 BXO 0.9345
140 DCY 0.9344
141 BMD 0.9343
142 SS2 0.9342
143 QSC 0.9340
144 273 0.9339
145 AMT 0.9333
146 3HL 0.9332
147 ABA 0.9330
148 RSO 0.9330
149 2AI 0.9329
150 ITU 0.9329
151 1DH 0.9328
152 1SP 0.9327
153 DPR 0.9320
154 M58 0.9316
155 SER 0.9313
156 HSE 0.9310
157 J1Z 0.9310
158 YCP 0.9309
159 285 0.9305
160 9YL 0.9301
161 39J 0.9300
162 JZ7 0.9297
163 DSN 0.9297
164 7WG 0.9294
165 CRS 0.9294
166 GBD 0.9293
167 LDU 0.9293
168 69O 0.9291
169 DE2 0.9290
170 MEU 0.9289
171 HGQ 0.9286
172 4JU 0.9284
173 AOA 0.9279
174 SGL 0.9278
175 RCO 0.9277
176 GAG 0.9276
177 MRY 0.9275
178 AC0 0.9274
179 3OH 0.9266
180 C2N 0.9265
181 BNS 0.9260
182 T2C 0.9258
183 C2A 0.9257
184 2HA 0.9256
185 A3B 0.9253
186 LER 0.9252
187 DTL 0.9250
188 BVF 0.9250
189 CEE 0.9249
190 IQ0 0.9248
191 IT2 0.9245
192 HDA 0.9242
193 23W 0.9241
194 PEL 0.9238
195 284 0.9237
196 SLP 0.9235
197 LG3 0.9231
198 ABU 0.9230
199 14J 0.9228
200 DBB 0.9225
201 HY3 0.9225
202 LEA 0.9224
203 DEN 0.9223
204 MTG 0.9221
205 MAK 0.9220
206 EDG 0.9220
207 MMU 0.9220
208 AKB 0.9219
209 SSN 0.9217
210 THR 0.9217
211 R8A 0.9217
212 51F 0.9212
213 LG5 0.9212
214 3HR 0.9210
215 DUC 0.9210
216 ALO 0.9206
217 UY7 0.9206
218 MRZ 0.9205
219 CYT 0.9205
220 CXF 0.9204
221 KIV 0.9203
222 BUQ 0.9199
223 8GF 0.9199
224 URF 0.9198
225 3CH 0.9198
226 1AB 0.9196
227 PEA 0.9194
228 NTN 0.9192
229 4CH 0.9191
230 OAA 0.9190
231 PCR 0.9190
232 VAL 0.9188
233 KSW 0.9188
234 MSF 0.9187
235 IDH 0.9181
236 5AC 0.9180
237 HQE 0.9180
238 PCA 0.9179
239 OXQ 0.9173
240 BML 0.9173
241 1PT 0.9169
242 VGL 0.9169
243 CIG 0.9168
244 IDM 0.9166
245 MMZ 0.9165
246 60P 0.9164
247 ETX 0.9164
248 ECE 0.9162
249 HBA 0.9162
250 FBJ 0.9161
251 PLQ 0.9160
252 JZ1 0.9159
253 25R 0.9158
254 LG4 0.9157
255 R2B 0.9154
256 R1X 0.9154
257 2RA 0.9154
258 UYA 0.9153
259 DA1 0.9152
260 GLY 0.9152
261 FBA 0.9151
262 4VP 0.9149
263 HPY 0.9149
264 4JL 0.9147
265 ICC 0.9143
266 4H2 0.9142
267 D2P 0.9138
268 DAB 0.9138
269 2MH 0.9137
270 BE7 0.9132
271 NK 0.9130
272 HEW 0.9129
273 TZE 0.9127
274 286 0.9126
275 M3T 0.9125
276 CHT 0.9123
277 MB3 0.9123
278 DTU 0.9122
279 JZ3 0.9122
280 PUT 0.9121
281 FPN 0.9120
282 LZ1 0.9120
283 B3R 0.9120
284 IMR 0.9118
285 IHG 0.9117
286 2DR 0.9116
287 IND 0.9110
288 BZF 0.9110
289 FAH 0.9109
290 3ZQ 0.9107
291 PXY 0.9100
292 GVH 0.9100
293 FAN 0.9098
294 RSF 0.9093
295 MPI 0.9090
296 4JP 0.9088
297 PPI 0.9085
298 3BB 0.9083
299 FJO 0.9080
300 BZI 0.9080
301 4JN 0.9079
302 0R1 0.9074
303 BUB 0.9070
304 NVA 0.9070
305 RP7 0.9070
306 9A4 0.9069
307 4HS 0.9064
308 OXD 0.9062
309 JZ9 0.9059
310 DTI 0.9054
311 PYR 0.9054
312 HV2 0.9051
313 ZBT 0.9050
314 TZL 0.9050
315 1MC 0.9050
316 MCT 0.9050
317 C2B 0.9048
318 BTL 0.9048
319 HSL 0.9046
320 0R0 0.9045
321 HYP 0.9040
322 4JM 0.9037
323 4AX 0.9033
324 LMR 0.9030
325 4HO 0.9030
326 COI 0.9027
327 192 0.9026
328 AKR 0.9024
329 F3V 0.9021
330 0CT 0.9020
331 MTD 0.9020
332 40E 0.9020
333 FPY 0.9017
334 3ZS 0.9016
335 DCL 0.9015
336 4ZE 0.9010
337 4XX 0.9010
338 MAE 0.9009
339 GOA 0.9007
340 HZP 0.9004
341 HX2 0.9003
342 GLV 0.9001
343 TMZ 0.9000
344 47J 0.8993
345 OXM 0.8992
346 R3W 0.8991
347 HHQ 0.8990
348 IOL 0.8987
349 4CL 0.8984
350 2AC 0.8983
351 THE 0.8980
352 A1U 0.8980
353 NMG 0.8980
354 CAQ 0.8980
355 MLT 0.8977
356 40O 0.8973
357 275 0.8972
358 CP 0.8972
359 F50 0.8971
360 1DQ 0.8970
361 TH0 0.8970
362 4JJ 0.8970
363 IPU 0.8970
364 ETM 0.8968
365 BEW 0.8967
366 NIE 0.8967
367 1AC 0.8967
368 JZ2 0.8966
369 SIN 0.8962
370 TDR 0.8960
371 XBZ 0.8960
372 WBU 0.8960
373 TMT 0.8959
374 ASN 0.8955
375 XYD 0.8954
376 IZC 0.8954
377 PE9 0.8953
378 MWM 0.8953
379 TM7 0.8950
380 PAE 0.8949
381 ICP 0.8949
382 PYD 0.8949
383 FUM 0.8945
384 BR9 0.8945
385 XBT 0.8944
386 SAL 0.8943
387 2HE 0.8943
388 34A 0.8943
389 DTT 0.8940
390 DMI 0.8940
391 HT4 0.8940
392 2YU 0.8940
393 CIZ 0.8939
394 27Y 0.8936
395 AGK 0.8934
396 QOS 0.8933
397 ITN 0.8933
398 AML 0.8933
399 SAT 0.8930
400 MZG 0.8930
401 2MP 0.8930
402 ISZ 0.8928
403 SPA 0.8926
404 IFM 0.8924
405 XM0 0.8922
406 PHB 0.8920
407 FQI 0.8920
408 AHR 0.8919
409 3U4 0.8918
410 2A1 0.8918
411 FP2 0.8918
412 FEH 0.8916
413 J3K 0.8914
414 EFS 0.8914
415 53C 0.8911
416 MPD 0.8908
417 ES6 0.8908
418 OVV 0.8907
419 PXO 0.8906
420 1AN 0.8906
421 93Q 0.8906
422 CFI 0.8904
423 LAC 0.8904
424 1WD 0.8901
425 6X8 0.8901
426 GIF 0.8901
427 5JC 0.8900
428 5MH 0.8900
429 CRN 0.8898
430 BXA 0.8898
431 92Z 0.8898
432 1DJ 0.8895
433 VNJ 0.8893
434 GAB 0.8891
435 L89 0.8890
436 2AF 0.8890
437 8X3 0.8890
438 8LG 0.8890
439 CSS 0.8889
440 2CO 0.8889
441 M6W 0.8888
442 TAU 0.8888
443 BE2 0.8887
444 2CH 0.8886
445 BAE 0.8885
446 NEQ 0.8884
447 3NT 0.8881
448 PYM 0.8880
449 5UC 0.8876
450 1BP 0.8876
451 BUO 0.8874
452 HBR 0.8873
453 HGY 0.8872
454 CRD 0.8871
455 54D 0.8870
456 OXE 0.8870
457 HAE 0.8866
458 76X 0.8864
459 TEO 0.8864
460 938 0.8860
461 43M 0.8860
462 HTS 0.8860
463 1LN 0.8859
464 DSS 0.8858
465 HBS 0.8857
466 RIB 0.8857
467 UGC 0.8856
468 HVB 0.8856
469 ILE 0.8855
470 PKU 0.8853
471 2OP 0.8850
472 BHO 0.8850
473 2RH 0.8848
474 4SD 0.8847
475 4JO 0.8846
476 IP0 0.8845
477 DAS 0.8844
478 ASP 0.8844
479 A8C 0.8843
480 YAN 0.8840
481 RUU 0.8839
482 3HB 0.8832
483 261 0.8831
484 I1E 0.8831
485 NMJ 0.8831
486 XPO 0.8827
487 COM 0.8825
488 IUR 0.8823
489 XUL 0.8821
490 NMU 0.8820
491 4CS 0.8819
492 NXA 0.8818
493 DYA 0.8817
494 Z82 0.8817
495 OXZ 0.8816
496 717 0.8814
497 Z6J 0.8813
498 NAK 0.8812
499 DFB 0.8811
500 MGX 0.8810
501 FLA 0.8807
502 3XX 0.8805
503 NPO 0.8805
504 H8N 0.8804
505 XYS 0.8800
506 ALA 0.8799
507 2LP 0.8796
508 JZ4 0.8796
509 PAB 0.8795
510 OPE 0.8793
511 PMB 0.8793
512 1P3 0.8789
513 MXN 0.8789
514 PYG 0.8785
515 BSX 0.8783
516 IOM 0.8783
517 TB6 0.8783
518 AC5 0.8781
519 13D 0.8781
520 DAL 0.8780
521 JKE 0.8780
522 KOJ 0.8779
523 3BZ 0.8778
524 VAH 0.8776
525 FB2 0.8775
526 4XR 0.8774
527 3OC 0.8774
528 S0H 0.8773
529 M2H 0.8771
530 YHO 0.8770
531 Y8I 0.8768
532 PRY 0.8767
533 QY9 0.8767
534 MNN 0.8767
535 ALQ 0.8767
536 TSZ 0.8766
537 PGA 0.8765
538 PCT 0.8764
539 7N0 0.8759
540 BZX 0.8758
541 3MC 0.8757
542 61G 0.8757
543 XYP 0.8754
544 FBM 0.8754
545 FUB 0.8752
546 2XX 0.8751
547 5HN 0.8750
548 270 0.8750
549 SNE 0.8749
550 HX3 0.8748
551 AGU 0.8746
552 1DV 0.8745
553 NIZ 0.8744
554 L3Q 0.8743
555 1XX 0.8743
556 LEU 0.8741
557 AX7 0.8740
558 4MV 0.8740
559 AZF 0.8739
560 8GC 0.8739
561 H95 0.8739
562 NHY 0.8739
563 VX 0.8739
564 NCM 0.8737
565 PAC 0.8737
566 PZI 0.8737
567 3CL 0.8735
568 F9P 0.8735
569 ATO 0.8735
570 7VD 0.8735
571 TLD 0.8735
572 7WV 0.8733
573 PBZ 0.8731
574 HPA 0.8727
575 3SK 0.8725
576 RB5 0.8724
577 CP2 0.8722
578 WCE 0.8720
579 2MI 0.8720
580 NIS 0.8720
581 JBE 0.8720
582 ORN 0.8718
583 5Y9 0.8718
584 O7U 0.8718
585 OK7 0.8716
586 P92 0.8715
587 MET 0.8715
588 PBE 0.8713
589 ICN 0.8711
590 JZ0 0.8710
591 AC6 0.8710
592 6M4 0.8710
593 3AB 0.8708
594 F81 0.8708
595 6MH 0.8708
596 CMS 0.8707
597 FP1 0.8706
598 FCN 0.8706
599 KYD 0.8706
600 BRT 0.8705
601 0MK 0.8702
602 M4T 0.8699
603 ETF 0.8697
604 F05 0.8696
605 ABV 0.8692
606 0PY 0.8691
607 TPA 0.8691
608 23A 0.8689
609 0TR 0.8680
610 MBD 0.8680
611 4SV 0.8679
612 FLM 0.8678
613 POA 0.8677
614 ODV 0.8676
615 B20 0.8674
616 WDL 0.8671
617 SRT 0.8669
618 BNZ 0.8663
619 9A7 0.8663
620 9TY 0.8662
621 5H1 0.8660
622 3SS 0.8659
623 3FA 0.8657
624 P7I 0.8656
625 PHZ 0.8655
626 QUZ 0.8655
627 9SB 0.8655
628 HBD 0.8654
629 5MI 0.8650
630 2MY 0.8650
631 2C9 0.8650
632 9EW 0.8650
633 2K4 0.8650
634 3MH 0.8650
635 4MA 0.8649
636 DUB 0.8649
637 P1R 0.8649
638 KMT 0.8649
639 5ZE 0.8648
640 TLA 0.8648
641 2ZX 0.8646
642 P72 0.8645
643 1Y6 0.8645
644 6AI 0.8640
645 5MB 0.8640
646 ADE 0.8640
647 SWD 0.8639
648 10L 0.8632
649 SVN 0.8631
650 3Z7 0.8630
651 14O 0.8630
652 F60 0.8630
653 FK1 0.8630
654 3CE 0.8627
655 HMH 0.8626
656 2CM 0.8624
657 8NY 0.8623
658 0RW 0.8622
659 3AY 0.8620
660 AEF 0.8619
661 GMN 0.8619
662 6M9 0.8619
663 FFP 0.8618
664 MED 0.8615
665 13X 0.8614
666 JYD 0.8614
667 9DA 0.8611
668 NPY 0.8610
669 AX2 0.8610
670 BP1 0.8606
671 ES9 0.8605
672 11S 0.8604
673 TH7 0.8604
674 YRL 0.8592
675 FYU 0.8590
676 URP 0.8590
677 6UA 0.8587
678 RIP 0.8586
679 2CK 0.8586
680 7HP 0.8584
681 MUC 0.8582
682 24B 0.8581
683 ES4 0.8580
684 PM6 0.8580
685 174 0.8580
686 ABE 0.8580
687 1DW 0.8570
688 N4B 0.8568
689 ARB 0.8564
690 4FA 0.8563
691 6MP 0.8562
692 EHM 0.8545
693 7WA 0.8544
694 XLS 0.8541
695 7CZ 0.8540
696 9HX 0.8537
697 826 0.8521
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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