Receptor
PDB id Resolution Class Description Source Keywords
2RBT 1.24 Å EC: 1.11.1.5 N-METHYLBENZYLAMINE IN COMPLEX WITH CYTOCHROME C PEROXIDASE 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
271 X:4001;
 Valid;
 none;
 submit data
121.18 C8 H11 N CNCc1...
HEM X:400;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
MPD X:2001;
X:3001;
 Invalid;
Invalid;
 none;
none;
 submit data
118.174 C6 H14 O2 C[C@@...
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: 271; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 271 1 1
2 9AG 0.486486 0.6
3 RBJ 0.466667 0.625
4 ABN 0.407407 0.625
5 JFJ 0.4 0.714286
Similar Ligands (3D)
Ligand no: 1; Ligand: 271; Similar ligands found: 777
No: Ligand Similarity coefficient
1 PEL 0.9984
2 HY1 0.9978
3 PEA 0.9970
4 JZ7 0.9920
5 CEE 0.9876
6 268 0.9832
7 PYJ 0.9783
8 CXF 0.9771
9 B24 0.9765
10 258 0.9759
11 N4B 0.9754
12 SYN 0.9751
13 RSO 0.9747
14 HSM 0.9735
15 BHO 0.9730
16 PY7 0.9720
17 9CL 0.9711
18 APY 0.9707
19 TZE 0.9704
20 1DJ 0.9702
21 1DU 0.9701
22 NYL 0.9700
23 MNN 0.9698
24 I1E 0.9696
25 MXN 0.9666
26 PRA 0.9666
27 BNF 0.9665
28 PAC 0.9665
29 NBE 0.9664
30 M58 0.9663
31 6PC 0.9654
32 BNS 0.9646
33 51F 0.9638
34 I4B 0.9636
35 LT1 0.9633
36 YRL 0.9630
37 QY9 0.9628
38 SS1 0.9621
39 JZ5 0.9615
40 FEH 0.9615
41 AMC 0.9611
42 SS2 0.9582
43 PZA 0.9568
44 QSC 0.9564
45 2LP 0.9560
46 CFI 0.9555
47 4FA 0.9551
48 1LN 0.9549
49 JZ4 0.9544
50 261 0.9543
51 BSX 0.9541
52 M4T 0.9532
53 PBC 0.9527
54 FP1 0.9527
55 AEF 0.9524
56 IZC 0.9513
57 PRY 0.9504
58 YCP 0.9503
59 BEZ 0.9499
60 NCA 0.9495
61 URS 0.9483
62 XM0 0.9477
63 54D 0.9464
64 MUC 0.9463
65 SPA 0.9459
66 NIO 0.9459
67 BAM 0.9452
68 282 0.9446
69 BEN 0.9436
70 1AB 0.9435
71 9X7 0.9427
72 ISZ 0.9423
73 PMB 0.9419
74 7WG 0.9418
75 NIZ 0.9417
76 MZ0 0.9413
77 HVQ 0.9412
78 1MR 0.9405
79 AC0 0.9403
80 FBA 0.9403
81 HBX 0.9402
82 69O 0.9401
83 264 0.9401
84 PRO 0.9399
85 MZW 0.9396
86 BP9 0.9396
87 2CO 0.9392
88 HCS 0.9392
89 FPI 0.9388
90 LYL 0.9386
91 R8A 0.9382
92 SMN 0.9381
93 JZ1 0.9381
94 DHR 0.9370
95 XBT 0.9366
96 IT2 0.9363
97 49F 0.9362
98 ZBT 0.9362
99 TZL 0.9362
100 BVC 0.9360
101 GJZ 0.9349
102 PCA 0.9348
103 AKG 0.9345
104 PZI 0.9343
105 MRZ 0.9342
106 4JL 0.9338
107 F9P 0.9336
108 5AC 0.9335
109 OHG 0.9334
110 HIS 0.9333
111 PO6 0.9330
112 OHP 0.9327
113 717 0.9327
114 GRO 0.9326
115 LDP 0.9323
116 VGL 0.9319
117 UNU 0.9317
118 HBA 0.9311
119 ORN 0.9311
120 PHU 0.9311
121 2EZ 0.9310
122 FAN 0.9308
123 NTN 0.9306
124 C2B 0.9303
125 UYA 0.9302
126 COI 0.9301
127 KMT 0.9299
128 IXW 0.9297
129 HC4 0.9297
130 R9S 0.9296
131 NVA 0.9293
132 C2A 0.9293
133 4VP 0.9290
134 9YL 0.9288
135 42J 0.9284
136 3HP 0.9284
137 KOJ 0.9280
138 TFB 0.9280
139 M6W 0.9275
140 JZ3 0.9274
141 HSE 0.9274
142 IFM 0.9273
143 3OC 0.9269
144 FBJ 0.9260
145 AEG 0.9260
146 MLT 0.9258
147 SMV 0.9256
148 FB2 0.9252
149 HZP 0.9252
150 K7M 0.9252
151 9RW 0.9249
152 286 0.9248
153 278 0.9248
154 4CS 0.9248
155 4HP 0.9246
156 FK8 0.9241
157 JBN 0.9240
158 PMF 0.9237
159 GAG 0.9234
160 EDG 0.9234
161 263 0.9233
162 GLU 0.9233
163 FBM 0.9231
164 NPO 0.9227
165 173 0.9227
166 RMN 0.9227
167 40E 0.9226
168 7N0 0.9226
169 A09 0.9225
170 TYL 0.9225
171 2RH 0.9223
172 BVG 0.9220
173 2PC 0.9218
174 DPR 0.9218
175 T2C 0.9217
176 TP5 0.9217
177 TPA 0.9216
178 7A8 0.9216
179 OAA 0.9214
180 R2B 0.9213
181 PRS 0.9210
182 IP0 0.9207
183 EV0 0.9205
184 273 0.9203
185 XIZ 0.9202
186 SRT 0.9200
187 IOM 0.9197
188 280 0.9196
189 PYF 0.9190
190 AC6 0.9189
191 NBZ 0.9189
192 4SV 0.9187
193 SNE 0.9187
194 HDH 0.9185
195 8OZ 0.9185
196 NLE 0.9185
197 3U4 0.9183
198 UY7 0.9181
199 SAL 0.9179
200 HCI 0.9179
201 ES6 0.9179
202 VKC 0.9178
203 OXQ 0.9178
204 YPN 0.9177
205 ASN 0.9177
206 B40 0.9174
207 1DQ 0.9172
208 SHA 0.9172
209 TLA 0.9171
210 MED 0.9166
211 3SK 0.9166
212 BE2 0.9164
213 DFB 0.9164
214 GBD 0.9163
215 ASP 0.9162
216 PHE 0.9162
217 8EZ 0.9160
218 PRI 0.9157
219 RB5 0.9156
220 XYL 0.9156
221 AHR 0.9154
222 J0Z 0.9153
223 LMR 0.9152
224 HY3 0.9151
225 B85 0.9149
226 60P 0.9149
227 ROR 0.9149
228 THE 0.9146
229 AZF 0.9144
230 MET 0.9143
231 OTR 0.9140
232 1WD 0.9140
233 XIY 0.9139
234 HPS 0.9137
235 NK 0.9137
236 OXZ 0.9136
237 BPW 0.9135
238 3QM 0.9134
239 B2J 0.9132
240 0R0 0.9130
241 QDK 0.9128
242 GLN 0.9127
243 NMJ 0.9127
244 HYP 0.9126
245 R9M 0.9124
246 FOA 0.9124
247 SYC 0.9123
248 3H2 0.9122
249 IMR 0.9121
250 LEU 0.9120
251 JKE 0.9116
252 AS3 0.9111
253 ICB 0.9111
254 PBA 0.9110
255 NVI 0.9108
256 TAR 0.9108
257 7WV 0.9108
258 LDU 0.9106
259 VAH 0.9105
260 FA1 0.9102
261 FBV 0.9101
262 HIO 0.9100
263 RBL 0.9098
264 O45 0.9098
265 6FZ 0.9096
266 SIN 0.9095
267 R1X 0.9094
268 DGN 0.9090
269 PBN 0.9090
270 DGL 0.9089
271 S2G 0.9089
272 2IT 0.9089
273 HDA 0.9087
274 3C4 0.9086
275 DAS 0.9084
276 069 0.9084
277 OK7 0.9083
278 URO 0.9082
279 1PT 0.9082
280 53C 0.9080
281 KTA 0.9078
282 PYC 0.9077
283 NFM 0.9076
284 OGA 0.9075
285 GLL 0.9075
286 QMP 0.9074
287 VNJ 0.9072
288 4JM 0.9071
289 1P3 0.9071
290 LCN 0.9069
291 45L 0.9068
292 3AB 0.9068
293 HL5 0.9064
294 ONL 0.9063
295 J9T 0.9061
296 98J 0.9060
297 TEO 0.9059
298 ORO 0.9056
299 IQ0 0.9056
300 CIZ 0.9056
301 CSS 0.9056
302 CRN 0.9054
303 SR1 0.9054
304 RIB 0.9051
305 GGL 0.9048
306 2AL 0.9047
307 SJ5 0.9046
308 2BG 0.9046
309 4XR 0.9045
310 HYA 0.9040
311 XUL 0.9038
312 FQI 0.9037
313 KP6 0.9034
314 DAV 0.9032
315 6NA 0.9032
316 DOR 0.9032
317 HBD 0.9030
318 LYS 0.9028
319 DS0 0.9028
320 ILE 0.9028
321 R67 0.9027
322 DBH 0.9027
323 2HG 0.9026
324 PHB 0.9026
325 FB1 0.9025
326 SSB 0.9021
327 TZC 0.9021
328 BHH 0.9018
329 4NC 0.9018
330 C21 0.9017
331 ABU 0.9017
332 XCZ 0.9017
333 TYE 0.9015
334 3HA 0.9014
335 SHO 0.9014
336 CXP 0.9012
337 DHS 0.9011
338 NOJ 0.9010
339 PBZ 0.9010
340 PAB 0.9010
341 4VY 0.9005
342 2PG 0.9001
343 G4D 0.9001
344 P7Y 0.9001
345 ITN 0.8998
346 SAN 0.8998
347 3M0 0.8996
348 OEG 0.8996
349 F81 0.8995
350 1DV 0.8993
351 HSO 0.8992
352 AGK 0.8991
353 GLC 0.8990
354 GAB 0.8988
355 7C3 0.8987
356 LNR 0.8987
357 ASC 0.8987
358 AHB 0.8984
359 NSP 0.8983
360 269 0.8982
361 3HB 0.8982
362 3NT 0.8981
363 SAF 0.8980
364 GLY ALA 0.8978
365 P72 0.8978
366 RM1 0.8977
367 GIF 0.8977
368 3V4 0.8976
369 EDR 0.8975
370 2AS 0.8974
371 DMJ 0.8974
372 3XX 0.8972
373 GZL 0.8972
374 MSE 0.8971
375 DHY 0.8970
376 24B 0.8967
377 DMV 0.8966
378 Q9Z 0.8966
379 HMH 0.8966
380 K34 0.8965
381 TSU 0.8960
382 EHM 0.8958
383 KIV 0.8957
384 2XX 0.8957
385 GYE 0.8956
386 IDM 0.8955
387 FBW 0.8951
388 IHG 0.8950
389 AC5 0.8949
390 BCU 0.8949
391 MHO 0.8948
392 MRY 0.8947
393 BML 0.8947
394 51R 0.8946
395 1SA 0.8944
396 HHA 0.8943
397 3F0 0.8942
398 1Y6 0.8942
399 UGC 0.8942
400 NEQ 0.8939
401 SHF 0.8937
402 SD4 0.8937
403 JYD 0.8935
404 H8N 0.8935
405 RHU 0.8935
406 NXA 0.8934
407 INO 0.8934
408 APG 0.8930
409 HHH 0.8930
410 CMS 0.8929
411 4CH 0.8929
412 IFL 0.8928
413 ISD 0.8928
414 PEP 0.8923
415 4P5 0.8922
416 449 0.8916
417 4SD 0.8916
418 6M4 0.8914
419 MAE 0.8914
420 ONH 0.8914
421 XLS 0.8911
422 G2F 0.8909
423 OMD 0.8909
424 MAN 0.8908
425 HGQ 0.8905
426 MR1 0.8905
427 RNS 0.8903
428 ASO 0.8901
429 2CL 0.8900
430 HMU 0.8899
431 BGC 0.8899
432 NOY 0.8898
433 HX3 0.8895
434 H76 0.8892
435 BE7 0.8891
436 FCR 0.8891
437 ZZT 0.8890
438 FW5 0.8890
439 ZZ3 0.8889
440 K5W 0.8889
441 260 0.8888
442 Q88 0.8888
443 URF 0.8886
444 3AL 0.8886
445 DHB 0.8885
446 DEN 0.8885
447 O7U 0.8885
448 FUB 0.8885
449 GOJ 0.8883
450 PAF 0.8882
451 2A7 0.8881
452 SPV 0.8881
453 IPH 0.8880
454 GLY GLY 0.8878
455 Z82 0.8878
456 OVV 0.8877
457 23J 0.8877
458 FUM 0.8876
459 PPR 0.8871
460 MNM 0.8870
461 SSN 0.8869
462 HQ9 0.8868
463 WBU 0.8867
464 RSF 0.8867
465 NMG 0.8865
466 DAL DAL 0.8861
467 1SP 0.8859
468 8H8 0.8859
469 OKG 0.8858
470 TH7 0.8857
471 ECE 0.8856
472 3SL 0.8855
473 XX2 0.8854
474 PKU 0.8853
475 PZM 0.8852
476 7MU 0.8851
477 A8C 0.8851
478 SEP 0.8850
479 SGL 0.8848
480 FBS 0.8846
481 23W 0.8845
482 GZ3 0.8843
483 4MA 0.8838
484 IF7 0.8837
485 GXE 0.8836
486 8GC 0.8835
487 URP 0.8835
488 32O 0.8834
489 DGJ 0.8834
490 WCE 0.8833
491 93B 0.8830
492 2EH 0.8830
493 2FT 0.8829
494 SHI 0.8828
495 AAS 0.8827
496 AMS 0.8827
497 4J8 0.8827
498 6CS 0.8827
499 GAL 0.8826
500 2FY 0.8826
501 H3M 0.8826
502 KYD 0.8825
503 OHJ 0.8824
504 MLE 0.8824
505 CRS 0.8824
506 2IM 0.8822
507 URA 0.8821
508 PEQ 0.8820
509 RNT 0.8819
510 ICC 0.8817
511 DOB 0.8815
512 1P8 0.8814
513 ICF 0.8813
514 S24 0.8813
515 1GP 0.8812
516 4MV 0.8811
517 BZX 0.8810
518 LEA 0.8810
519 2MH 0.8809
520 4JU 0.8809
521 DHK 0.8807
522 S2P 0.8806
523 GUA 0.8804
524 2TQ 0.8803
525 IPB 0.8801
526 4RW 0.8801
527 RUU 0.8800
528 GWM 0.8800
529 CXL 0.8798
530 6F0 0.8797
531 HAI 0.8796
532 AFR 0.8795
533 LNO 0.8794
534 MLI 0.8794
535 P80 0.8791
536 WOT 0.8790
537 5HY 0.8788
538 AX7 0.8788
539 FA0 0.8786
540 14J 0.8785
541 AEH 0.8784
542 BDP 0.8784
543 TSS 0.8782
544 MLA 0.8782
545 2CK 0.8781
546 FYU 0.8781
547 8K2 0.8781
548 2KT 0.8780
549 0VT 0.8780
550 3PG 0.8779
551 HL4 0.8779
552 K6V 0.8778
553 13P 0.8777
554 D1X 0.8777
555 4M0 0.8777
556 DHI 0.8775
557 4JT 0.8775
558 26D 0.8773
559 MEV 0.8773
560 8CL 0.8773
561 G3P 0.8772
562 5CU 0.8771
563 DYT 0.8770
564 285 0.8767
565 FA3 0.8767
566 5XA 0.8766
567 G3H 0.8765
568 9J3 0.8764
569 0V5 0.8764
570 NFA 0.8764
571 LYN 0.8763
572 HPP 0.8763
573 L99 0.8761
574 PGA 0.8760
575 PBE 0.8759
576 BHA 0.8759
577 0LH 0.8759
578 3HG 0.8758
579 GTQ 0.8757
580 2DR 0.8756
581 3BZ 0.8755
582 2BX 0.8751
583 BDF 0.8751
584 PRZ 0.8751
585 DCL 0.8751
586 9TZ 0.8751
587 2MI 0.8750
588 23A 0.8749
589 PIH 0.8749
590 270 0.8748
591 3FH 0.8747
592 IND 0.8747
593 DUC 0.8747
594 M3H 0.8746
595 P92 0.8745
596 SOE 0.8744
597 LZ1 0.8744
598 HX2 0.8743
599 HFA 0.8743
600 NCT 0.8743
601 GLO 0.8742
602 P9P 0.8742
603 H95 0.8742
604 KPL 0.8741
605 HGW 0.8741
606 TTO 0.8740
607 HPY 0.8739
608 Z6J 0.8739
609 KMH 0.8737
610 MPI 0.8736
611 CYS 0.8736
612 TAG 0.8735
613 HPA 0.8734
614 BZI 0.8734
615 3OL 0.8733
616 3OM 0.8733
617 MBN 0.8731
618 PPY 0.8730
619 4SX 0.8728
620 0R1 0.8728
621 SVD 0.8728
622 3DO 0.8725
623 MES 0.8724
624 0CT 0.8723
625 DTL 0.8721
626 K6H 0.8721
627 Q03 0.8720
628 DPN 0.8719
629 HHN 0.8719
630 IFP 0.8717
631 ABV 0.8715
632 ARW 0.8715
633 KDF 0.8715
634 LRH 0.8714
635 SW7 0.8714
636 AHC 0.8712
637 EKZ 0.8711
638 DTU 0.8711
639 GVH 0.8711
640 S0W 0.8711
641 SC2 0.8710
642 HF2 0.8709
643 CYH 0.8707
644 3HL 0.8706
645 BZF 0.8705
646 RIP 0.8705
647 4XV 0.8704
648 0OC 0.8702
649 LG4 0.8701
650 3PY 0.8701
651 GAF 0.8699
652 FRU 0.8697
653 HQE 0.8697
654 HRZ 0.8696
655 5RG 0.8695
656 4AP 0.8695
657 X0V 0.8694
658 34D 0.8693
659 4PN 0.8692
660 GLA 0.8691
661 1SH 0.8691
662 THR 0.8691
663 HVK 0.8690
664 2AP 0.8690
665 3AP 0.8689
666 4XS 0.8688
667 SYM 0.8687
668 4NG 0.8683
669 SYG 0.8683
670 P58 0.8682
671 P3K 0.8682
672 AG2 0.8681
673 284 0.8681
674 V55 0.8679
675 L3Q 0.8679
676 4HS 0.8679
677 J1Z 0.8679
678 SER 0.8678
679 JZ9 0.8676
680 VAL 0.8675
681 FPY 0.8674
682 LGA 0.8674
683 ZXD 0.8673
684 CN0 0.8672
685 97T 0.8672
686 ADE 0.8672
687 5NU 0.8671
688 PLQ 0.8670
689 FPN 0.8669
690 34V 0.8669
691 3Z7 0.8669
692 RJY 0.8667
693 6LW 0.8667
694 LSQ 0.8667
695 SDD 0.8666
696 IPZ 0.8662
697 A2Q 0.8661
698 PCR 0.8660
699 V1L 0.8659
700 GP9 0.8659
701 5HN 0.8659
702 H7Y 0.8658
703 ALO 0.8657
704 7HP 0.8656
705 DCY 0.8656
706 AAE 0.8653
707 HE2 0.8649
708 1MC 0.8648
709 A13 0.8647
710 IOL 0.8645
711 AKB 0.8645
712 DMG 0.8645
713 IDH 0.8643
714 PGH 0.8640
715 OPE 0.8640
716 L60 0.8639
717 DQA 0.8639
718 B09 0.8637
719 PXY 0.8636
720 1CO 0.8636
721 4HO 0.8635
722 9KH 0.8635
723 C5J 0.8634
724 AMH 0.8634
725 CEJ 0.8633
726 FSG 0.8632
727 PAH 0.8631
728 DA1 0.8630
729 QIC 0.8630
730 T9G 0.8630
731 XYP 0.8624
732 MCT 0.8623
733 4P0 0.8621
734 MEQ 0.8621
735 CP 0.8621
736 RCO 0.8620
737 9PO 0.8617
738 HHI 0.8612
739 GLF 0.8611
740 TDR 0.8611
741 FBT 0.8609
742 L5V 0.8606
743 2AC 0.8606
744 25R 0.8602
745 GZQ 0.8600
746 LGC 0.8594
747 PH3 0.8592
748 DGY 0.8591
749 BRT 0.8591
750 CYT 0.8585
751 2FG 0.8584
752 4HM 0.8583
753 NLP 0.8582
754 TIU 0.8581
755 4JN 0.8580
756 CIG 0.8579
757 3CH 0.8576
758 BVF 0.8575
759 QUS 0.8575
760 KBB 0.8568
761 4ZE 0.8567
762 XYD 0.8566
763 KBG 0.8565
764 P2D 0.8564
765 DIE 0.8563
766 MJ2 0.8562
767 MLM 0.8559
768 B3R 0.8555
769 MTL 0.8552
770 27Y 0.8547
771 SKM 0.8542
772 BMA 0.8540
773 DSN 0.8540
774 0MK 0.8536
775 XBZ 0.8531
776 TMH 0.8524
777 LG5 0.8523
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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