-->
Receptor
PDB id Resolution Class Description Source Keywords
4QYY 1.65 Å EC: 2.7.11.24 DISCOVERY OF NOVEL, DUAL MECHANISM ERK INHIBITORS BY AFFINIT SELECTION SCREENING OF AN INACTIVE KINASE STATE RATTUS NORVEGICUS TRANSFERASE SERINE/THREONINE-PROTEIN KINASE MAP KINASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF NOVEL, DUAL MECHANISM ERK INHIBITORS B AFFINITY SELECTION SCREENING OF AN INACTIVE KINASE. J.MED.CHEM. V. 57 8817 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3G7 A:401;
Valid;
none;
Kd = 0.05 uM
484.975 C25 H29 Cl N4 O4 CC(=O...
SO4 A:402;
A:404;
A:403;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5BVE 2 Å EC: 2.7.11.24 TETRAHYDROPYRROLO-DIAZEPENONES AS INHIBITORS OF ERK2 KINASE HOMO SAPIENS INHIBITOR KINASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: TETRAHYDROPYRROLO-DIAZEPENONES AS INHIBITORS OF ERK BIOORG.MED.CHEM.LETT. V. 25 3788 2015
Members (73)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 6GDM - F3Z C33 H33 N9 O2 c1cnc(nc1)....
2 4XP3 - DX4 C5 H5 N5 S c1[nH]c2c(....
3 4O6E ic50 = 1 nM 2SH C21 H25 Cl F N5 O3 c1cc(c(cc1....
4 5NHJ ic50 < 0.0003 uM 8XE C18 H21 N7 O2 Cn1c(ccn1)....
5 4QYY Kd = 0.05 uM 3G7 C25 H29 Cl N4 O4 CC(=O)c1cc....
6 4I5H Ki < 2 nM G17 C26 H21 F3 N4 O Cc1ccc(cc1....
7 6G93 ic50 = 11 nM EU2 C17 H17 Cl N4 O2 c1cc2c(cc1....
8 4QTE Kd = 0.084 uM 390 C24 H20 Cl2 F N5 O2 Cc1cnc(nc1....
9 4XNE - TT4 C8 H9 N5 c1ccc(cc1)....
10 3QYW - 6PB C11 H8 Br N5 c1cc(cc(c1....
11 5BUE ic50 = 0.003 uM 4V8 C23 H21 N5 O c1ccc(cc1)....
12 6GE0 ic50 = 2.1 nM EVQ C28 H30 Cl N5 O4 C[C@H](c1c....
13 6G9N ic50 = 3 nM ESN C29 H32 Cl N5 O4 Cc1cccc(c1....
14 2Z7L - S91 C20 H19 N5 O3 Cc1cccc(c1....
15 4ZXT - CAQ C6 H6 O2 c1ccc(c(c1....
16 1WZY ic50 = 0.56 uM F29 C21 H17 N7 C=CCn1c2c(....
17 6DMG - EK6 C27 H26 Cl2 F N5 O4 CCOC(=O)CN....
18 5NHH ic50 < 0.00113 uM 8XH C19 H25 N5 O3 COCCN1CCc2....
19 6G9H ic50 = 4 nM ERW C24 H30 Cl N5 O3 CC(C)(C)N(....
20 4N4S - 2H1 C25 H24 N6 O Cc1cc(cc2c....
21 4QP8 ic50 = 0.28 uM 362 C14 H10 N6 c1cc(cnc1)....
22 4QP4 - 36O C11 H15 N5 c1[nH]c2c(....
23 6G9D ic50 = 4.3 nM ER8 C23 H28 Cl N5 O3 CC(C)(C)NC....
24 6GJB ic50 = 0.008 uM F0H C35 H34 Cl F N6 O4 c1cc(c(cc1....
25 6G91 ic50 = 3200 nM EQW C9 H12 Cl N3 O c1c(cnc(n1....
26 6G8X - EQT C7 H6 Cl N3 c1cc2c(c(c....
27 6DCG ic50 = 7 nM G67 C37 H41 N9 O3 S CC(C)Oc1cc....
28 4QP9 ic50 = 0.071 uM 35X C17 H16 N6 CCCn1cc(cn....
29 5BVE ic50 = 0.01 nM 4VG C25 H28 Cl N5 O3 c1cc(cc(c1....
30 5KE0 - 6S9 C20 H18 N6 O Cc1cc(ccn1....
31 6CPW ic50 = 5.6 nM F8V C35 H35 F N8 O2 S CS[C@]1(CC....
32 4XOY - DX4 C5 H5 N5 S c1[nH]c2c(....
33 6G9K - ESK C27 H28 Cl N5 O4 c1ccc(cc1)....
34 3QYZ - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
35 5BVF ic50 = 0.19 nM 4VJ C25 H28 Cl N5 O3 c1cc(cc(c1....
36 6G9M ic50 = 7.9 nM ESW C28 H30 Cl N5 O3 CC(C)(c1cc....
37 4XOZ - 620 C15 H16 N6 O c1ccc(cc1)....
38 5HD7 - 38Z C33 H33 N9 O2 c1cnc(nc1)....
39 4XRJ - 620 C15 H16 N6 O c1ccc(cc1)....
40 2OJJ Ki = 0.002 uM 82A C22 H17 Cl2 F N4 O2 c1cc(cc(c1....
41 4QTA Kd = 0.013 uM 38Z C33 H33 N9 O2 c1cnc(nc1)....
42 5NHO ic50 < 0.0003 uM 8XN C20 H25 N7 O2 Cc1cnc(nc1....
43 2OJG Ki = 2.3 uM 19A C16 H16 N4 O CN(C)C(=O)....
44 4XP0 - 42A C8 H5 N3 c1cc2c(c[n....
45 4QP2 Kd = 940 uM 36R C7 H5 Cl N2 O c1cc2c(cc1....
46 5NHF ic50 = 0.0012 uM 8X5 C23 H25 N5 O2 c1ccc(cc1)....
47 5BUJ ic50 = 0.005 uM 4VB C16 H15 N5 O c1cnccc1c2....
48 6G9J ic50 = 4.1 nM ERK C27 H28 Cl N5 O3 C[C@H](c1c....
49 5BUI ic50 = 0.089 uM 4V9 C17 H15 F N4 c1ccnc(c1)....
50 4QP7 ic50 = 5.9 uM 363 C9 H7 N5 c1c[nH]c2c....
51 3ERK ic50 = 18 uM SB4 C18 H19 F N6 c1cc(ccc1c....
52 6GDQ - EVK C21 H22 Cl2 N4 O2 CC(C)Nc1cc....
53 5V60 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
54 1TVO Ki = 0.14 uM FRZ C18 H13 N7 c1ccc(cc1)....
55 6G9A ic50 = 21 nM ESQ C23 H28 Cl N5 O3 c1cc2c(cc1....
56 5BVD ic50 = 0.16 nM 4VF C24 H26 Cl N5 O3 c1cc(cc(c1....
57 4ZZN ic50 = 0.26 uM CQ8 C18 H21 Cl N4 O2 CNC(=O)c1c....
58 3SA0 - NRA C13 H8 O6 c1c(cc2c(c....
59 4ERK ic50 = 27 uM OLO C15 H18 N6 O Cn1cnc2c1n....
60 6GJD ic50 = 0.022 uM F0E C46 H55 N11 O5 c1cnc(nc1)....
61 5U6I - 81Y C19 H22 N4 O2 CC(C)Oc1cc....
62 5NHV ic50 = 0.0028 uM 8QB C16 H19 N5 O2 c1cnc(nc1c....
63 3I5Z Ki = 2 nM Z48 C24 H23 N5 O2 Cc1cnc(nc1....
64 4N0S - DHC C9 H8 O4 c1cc(c(cc1....
65 5NHP ic50 = 0.023 uM 8XK C19 H23 N7 O2 Cn1c(ccn1)....
66 3I60 Ki < 2 nM E86 C24 H22 Cl N5 O2 Cc1cnc(nc1....
67 4XP2 - TT4 C8 H9 N5 c1ccc(cc1)....
68 1PME Ki = 0.76 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
69 5NHL ic50 < 0.0003 uM 8XB C20 H25 N7 O2 Cc1cnc(nc1....
70 5HD4 - 38Z C33 H33 N9 O2 c1cnc(nc1)....
71 6G97 ic50 = 4.2 nM EQZ C20 H23 Cl N4 O3 COCCN1Cc2c....
72 6G92 ic50 = 76000 nM ERZ C10 H13 N5 Cc1cnc(nc1....
73 5K4I ic50 = 3.1 nM 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
70% Homology Family (75)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 6GDM - F3Z C33 H33 N9 O2 c1cnc(nc1)....
2 4XP3 - DX4 C5 H5 N5 S c1[nH]c2c(....
3 4O6E ic50 = 1 nM 2SH C21 H25 Cl F N5 O3 c1cc(c(cc1....
4 5NHJ ic50 < 0.0003 uM 8XE C18 H21 N7 O2 Cn1c(ccn1)....
5 4QYY Kd = 0.05 uM 3G7 C25 H29 Cl N4 O4 CC(=O)c1cc....
6 4I5H Ki < 2 nM G17 C26 H21 F3 N4 O Cc1ccc(cc1....
7 6G93 ic50 = 11 nM EU2 C17 H17 Cl N4 O2 c1cc2c(cc1....
8 4QTE Kd = 0.084 uM 390 C24 H20 Cl2 F N5 O2 Cc1cnc(nc1....
9 4XNE - TT4 C8 H9 N5 c1ccc(cc1)....
10 3QYW - 6PB C11 H8 Br N5 c1cc(cc(c1....
11 5BUE ic50 = 0.003 uM 4V8 C23 H21 N5 O c1ccc(cc1)....
12 6GE0 ic50 = 2.1 nM EVQ C28 H30 Cl N5 O4 C[C@H](c1c....
13 6G9N ic50 = 3 nM ESN C29 H32 Cl N5 O4 Cc1cccc(c1....
14 2Z7L - S91 C20 H19 N5 O3 Cc1cccc(c1....
15 4ZXT - CAQ C6 H6 O2 c1ccc(c(c1....
16 1WZY ic50 = 0.56 uM F29 C21 H17 N7 C=CCn1c2c(....
17 6DMG - EK6 C27 H26 Cl2 F N5 O4 CCOC(=O)CN....
18 5NHH ic50 < 0.00113 uM 8XH C19 H25 N5 O3 COCCN1CCc2....
19 6G9H ic50 = 4 nM ERW C24 H30 Cl N5 O3 CC(C)(C)N(....
20 4N4S - 2H1 C25 H24 N6 O Cc1cc(cc2c....
21 4QP8 ic50 = 0.28 uM 362 C14 H10 N6 c1cc(cnc1)....
22 4QP4 - 36O C11 H15 N5 c1[nH]c2c(....
23 6G9D ic50 = 4.3 nM ER8 C23 H28 Cl N5 O3 CC(C)(C)NC....
24 6GJB ic50 = 0.008 uM F0H C35 H34 Cl F N6 O4 c1cc(c(cc1....
25 6G91 ic50 = 3200 nM EQW C9 H12 Cl N3 O c1c(cnc(n1....
26 6G8X - EQT C7 H6 Cl N3 c1cc2c(c(c....
27 6DCG ic50 = 7 nM G67 C37 H41 N9 O3 S CC(C)Oc1cc....
28 4QP9 ic50 = 0.071 uM 35X C17 H16 N6 CCCn1cc(cn....
29 5BVE ic50 = 0.01 nM 4VG C25 H28 Cl N5 O3 c1cc(cc(c1....
30 5KE0 - 6S9 C20 H18 N6 O Cc1cc(ccn1....
31 6CPW ic50 = 5.6 nM F8V C35 H35 F N8 O2 S CS[C@]1(CC....
32 4XOY - DX4 C5 H5 N5 S c1[nH]c2c(....
33 6G9K - ESK C27 H28 Cl N5 O4 c1ccc(cc1)....
34 3QYZ - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
35 5BVF ic50 = 0.19 nM 4VJ C25 H28 Cl N5 O3 c1cc(cc(c1....
36 6G9M ic50 = 7.9 nM ESW C28 H30 Cl N5 O3 CC(C)(c1cc....
37 4XOZ - 620 C15 H16 N6 O c1ccc(cc1)....
38 5HD7 - 38Z C33 H33 N9 O2 c1cnc(nc1)....
39 4XRJ - 620 C15 H16 N6 O c1ccc(cc1)....
40 2OJJ Ki = 0.002 uM 82A C22 H17 Cl2 F N4 O2 c1cc(cc(c1....
41 4QTA Kd = 0.013 uM 38Z C33 H33 N9 O2 c1cnc(nc1)....
42 5NHO ic50 < 0.0003 uM 8XN C20 H25 N7 O2 Cc1cnc(nc1....
43 2OJG Ki = 2.3 uM 19A C16 H16 N4 O CN(C)C(=O)....
44 4XP0 - 42A C8 H5 N3 c1cc2c(c[n....
45 4QP2 Kd = 940 uM 36R C7 H5 Cl N2 O c1cc2c(cc1....
46 5NHF ic50 = 0.0012 uM 8X5 C23 H25 N5 O2 c1ccc(cc1)....
47 5BUJ ic50 = 0.005 uM 4VB C16 H15 N5 O c1cnccc1c2....
48 6G9J ic50 = 4.1 nM ERK C27 H28 Cl N5 O3 C[C@H](c1c....
49 5BUI ic50 = 0.089 uM 4V9 C17 H15 F N4 c1ccnc(c1)....
50 4QP7 ic50 = 5.9 uM 363 C9 H7 N5 c1c[nH]c2c....
51 3ERK ic50 = 18 uM SB4 C18 H19 F N6 c1cc(ccc1c....
52 6GDQ - EVK C21 H22 Cl2 N4 O2 CC(C)Nc1cc....
53 5V60 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
54 1TVO Ki = 0.14 uM FRZ C18 H13 N7 c1ccc(cc1)....
55 6G9A ic50 = 21 nM ESQ C23 H28 Cl N5 O3 c1cc2c(cc1....
56 5BVD ic50 = 0.16 nM 4VF C24 H26 Cl N5 O3 c1cc(cc(c1....
57 4ZZN ic50 = 0.26 uM CQ8 C18 H21 Cl N4 O2 CNC(=O)c1c....
58 3SA0 - NRA C13 H8 O6 c1c(cc2c(c....
59 4ERK ic50 = 27 uM OLO C15 H18 N6 O Cn1cnc2c1n....
60 6GJD ic50 = 0.022 uM F0E C46 H55 N11 O5 c1cnc(nc1)....
61 5U6I - 81Y C19 H22 N4 O2 CC(C)Oc1cc....
62 5NHV ic50 = 0.0028 uM 8QB C16 H19 N5 O2 c1cnc(nc1c....
63 3I5Z Ki = 2 nM Z48 C24 H23 N5 O2 Cc1cnc(nc1....
64 4N0S - DHC C9 H8 O4 c1cc(c(cc1....
65 5NHP ic50 = 0.023 uM 8XK C19 H23 N7 O2 Cn1c(ccn1)....
66 3I60 Ki < 2 nM E86 C24 H22 Cl N5 O2 Cc1cnc(nc1....
67 4XP2 - TT4 C8 H9 N5 c1ccc(cc1)....
68 1PME Ki = 0.76 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
69 5NHL ic50 < 0.0003 uM 8XB C20 H25 N7 O2 Cc1cnc(nc1....
70 5HD4 - 38Z C33 H33 N9 O2 c1cnc(nc1)....
71 6G97 ic50 = 4.2 nM EQZ C20 H23 Cl N4 O3 COCCN1Cc2c....
72 6G92 ic50 = 76000 nM ERZ C10 H13 N5 Cc1cnc(nc1....
73 5K4I ic50 = 3.1 nM 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
74 4QTB Kd = 0.084 uM 38Z C33 H33 N9 O2 c1cnc(nc1)....
75 2ZOQ ic50 = 0.9 uM 5ID C11 H13 I N4 O4 c1c(c2c(nc....
50% Homology Family (281)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 4FBX - 0TJ GLY ASP ASP ASP ASP ASP n/a n/a
2 5OUU - AWN C22 H20 Cl N3 c1ccc(cc1)....
3 4RLL - E91 C21 H14 N2 O2 c1ccc2c(c1....
4 5CU4 Kd = 0.32 uM 54S C26 H26 Cl N3 O4 c1ccc(cc1)....
5 4O6E ic50 = 1 nM 2SH C21 H25 Cl F N5 O3 c1cc(c(cc1....
6 5NHJ ic50 < 0.0003 uM 8XE C18 H21 N7 O2 Cn1c(ccn1)....
7 4QYY Kd = 0.05 uM 3G7 C25 H29 Cl N4 O4 CC(=O)c1cc....
8 4I5H Ki < 2 nM G17 C26 H21 F3 N4 O Cc1ccc(cc1....
9 6G93 ic50 = 11 nM EU2 C17 H17 Cl N4 O2 c1cc2c(cc1....
10 4QTE Kd = 0.084 uM 390 C24 H20 Cl2 F N5 O2 Cc1cnc(nc1....
11 4XNE - TT4 C8 H9 N5 c1ccc(cc1)....
12 3QYW - 6PB C11 H8 Br N5 c1cc(cc(c1....
13 5BUE ic50 = 0.003 uM 4V8 C23 H21 N5 O c1ccc(cc1)....
14 6GE0 ic50 = 2.1 nM EVQ C28 H30 Cl N5 O4 C[C@H](c1c....
15 6G9N ic50 = 3 nM ESN C29 H32 Cl N5 O4 Cc1cccc(c1....
16 2Z7L - S91 C20 H19 N5 O3 Cc1cccc(c1....
17 4ZXT - CAQ C6 H6 O2 c1ccc(c(c1....
18 1WZY ic50 = 0.56 uM F29 C21 H17 N7 C=CCn1c2c(....
19 6DMG - EK6 C27 H26 Cl2 F N5 O4 CCOC(=O)CN....
20 5NHH ic50 < 0.00113 uM 8XH C19 H25 N5 O3 COCCN1CCc2....
21 6G9H ic50 = 4 nM ERW C24 H30 Cl N5 O3 CC(C)(C)N(....
22 4N4S - 2H1 C25 H24 N6 O Cc1cc(cc2c....
23 4QP8 ic50 = 0.28 uM 362 C14 H10 N6 c1cc(cnc1)....
24 4QP4 - 36O C11 H15 N5 c1[nH]c2c(....
25 6G9D ic50 = 4.3 nM ER8 C23 H28 Cl N5 O3 CC(C)(C)NC....
26 6GJB ic50 = 0.008 uM F0H C35 H34 Cl F N6 O4 c1cc(c(cc1....
27 6G91 ic50 = 3200 nM EQW C9 H12 Cl N3 O c1c(cnc(n1....
28 6G8X - EQT C7 H6 Cl N3 c1cc2c(c(c....
29 6DCG ic50 = 7 nM G67 C37 H41 N9 O3 S CC(C)Oc1cc....
30 4QP9 ic50 = 0.071 uM 35X C17 H16 N6 CCCn1cc(cn....
31 5BVE ic50 = 0.01 nM 4VG C25 H28 Cl N5 O3 c1cc(cc(c1....
32 5KE0 - 6S9 C20 H18 N6 O Cc1cc(ccn1....
33 6CPW ic50 = 5.6 nM F8V C35 H35 F N8 O2 S CS[C@]1(CC....
34 4XOY - DX4 C5 H5 N5 S c1[nH]c2c(....
35 6G9K - ESK C27 H28 Cl N5 O4 c1ccc(cc1)....
36 3QYZ - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
37 5BVF ic50 = 0.19 nM 4VJ C25 H28 Cl N5 O3 c1cc(cc(c1....
38 6G9M ic50 = 7.9 nM ESW C28 H30 Cl N5 O3 CC(C)(c1cc....
39 4XOZ - 620 C15 H16 N6 O c1ccc(cc1)....
40 5HD7 - 38Z C33 H33 N9 O2 c1cnc(nc1)....
41 4XRJ - 620 C15 H16 N6 O c1ccc(cc1)....
42 2OJJ Ki = 0.002 uM 82A C22 H17 Cl2 F N4 O2 c1cc(cc(c1....
43 4QTA Kd = 0.013 uM 38Z C33 H33 N9 O2 c1cnc(nc1)....
44 5NHO ic50 < 0.0003 uM 8XN C20 H25 N7 O2 Cc1cnc(nc1....
45 2OJG Ki = 2.3 uM 19A C16 H16 N4 O CN(C)C(=O)....
46 4XP0 - 42A C8 H5 N3 c1cc2c(c[n....
47 4QP2 Kd = 940 uM 36R C7 H5 Cl N2 O c1cc2c(cc1....
48 5NHF ic50 = 0.0012 uM 8X5 C23 H25 N5 O2 c1ccc(cc1)....
49 5BUJ ic50 = 0.005 uM 4VB C16 H15 N5 O c1cnccc1c2....
50 6G9J ic50 = 4.1 nM ERK C27 H28 Cl N5 O3 C[C@H](c1c....
51 5BUI ic50 = 0.089 uM 4V9 C17 H15 F N4 c1ccnc(c1)....
52 4QP7 ic50 = 5.9 uM 363 C9 H7 N5 c1c[nH]c2c....
53 3ERK ic50 = 18 uM SB4 C18 H19 F N6 c1cc(ccc1c....
54 6GDQ - EVK C21 H22 Cl2 N4 O2 CC(C)Nc1cc....
55 5V60 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
56 1TVO Ki = 0.14 uM FRZ C18 H13 N7 c1ccc(cc1)....
57 6G9A ic50 = 21 nM ESQ C23 H28 Cl N5 O3 c1cc2c(cc1....
58 5BVD ic50 = 0.16 nM 4VF C24 H26 Cl N5 O3 c1cc(cc(c1....
59 4ZZN ic50 = 0.26 uM CQ8 C18 H21 Cl N4 O2 CNC(=O)c1c....
60 3SA0 - NRA C13 H8 O6 c1c(cc2c(c....
61 4ERK ic50 = 27 uM OLO C15 H18 N6 O Cn1cnc2c1n....
62 6GJD ic50 = 0.022 uM F0E C46 H55 N11 O5 c1cnc(nc1)....
63 5U6I - 81Y C19 H22 N4 O2 CC(C)Oc1cc....
64 5NHV ic50 = 0.0028 uM 8QB C16 H19 N5 O2 c1cnc(nc1c....
65 3I5Z Ki = 2 nM Z48 C24 H23 N5 O2 Cc1cnc(nc1....
66 4N0S - DHC C9 H8 O4 c1cc(c(cc1....
67 5NHP ic50 = 0.023 uM 8XK C19 H23 N7 O2 Cn1c(ccn1)....
68 3I60 Ki < 2 nM E86 C24 H22 Cl N5 O2 Cc1cnc(nc1....
69 4XP2 - TT4 C8 H9 N5 c1ccc(cc1)....
70 1PME Ki = 0.76 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
71 5NHL ic50 < 0.0003 uM 8XB C20 H25 N7 O2 Cc1cnc(nc1....
72 5HD4 - 38Z C33 H33 N9 O2 c1cnc(nc1)....
73 6G97 ic50 = 4.2 nM EQZ C20 H23 Cl N4 O3 COCCN1Cc2c....
74 6G92 ic50 = 76000 nM ERZ C10 H13 N5 Cc1cnc(nc1....
75 5K4I ic50 = 3.1 nM 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
76 4FA2 - SB0 C20 H21 F N4 O2 COc1nccc(n....
77 2GHM - LIC C24 H28 Cl N5 O3 C[C@@H](C(....
78 1W84 ic50 = 35 uM L12 C15 H14 N2 c1ccc2c(c1....
79 4EH5 - IRG C17 H16 N4 c1ccc(cc1)....
80 2BAK Kd = 37 nM AQZ C32 H37 N7 O4 Cc1ccc(cc1....
81 3HV6 ic50 = 5500 nM R39 C27 H35 N5 O3 Cc1ccc(cc1....
82 3HP2 - P36 C19 H16 Br N O2 c1ccc(cc1)....
83 1WBO ic50 = 1 mM 2CH C6 H5 Cl O c1ccc(c(c1....
84 4KIQ ic50 = 23 nM 1RA C23 H23 N3 O4 CCOC(=O)n1....
85 3GC7 ic50 = 0.4 nM B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
86 4EH6 - IRG C17 H16 N4 c1ccc(cc1)....
87 5MTX Kd = 17.7 nM FJI C34 H31 F N4 O5 c1ccc(cc1)....
88 2ZB0 Ki = 0.24 uM GK3 C24 H18 N4 O2 Cc1ccc(cc1....
89 2GTM ic50 = 542 nM LID C19 H15 Cl F2 N6 CCn1c2c(cn....
90 5N66 - B96 C31 H37 N5 O3 Cc1ccc(cc1....
91 2YIX Kd = 3.3 nM YIX C19 H23 N5 O S CCNC(=O)NC....
92 3OCG ic50 = 3 nM OCG C21 H18 N6 O3 Cc1ccc(cc1....
93 1BL7 - SB4 C18 H19 F N6 c1cc(ccc1c....
94 3P7C ic50 = 0.022 uM P7C C25 H33 Cl2 N5 O3 S CC(C)(C)c1....
95 5TBE Kd = 4.4 nM 78L C33 H30 F2 N4 O4 S c1cc(sc1)C....
96 4KIP ic50 = 7 nM 1R9 C21 H18 Cl N3 O2 S Cc1ccc(cc1....
97 2EWA - SB2 C21 H16 F N3 O S C[S@](=O)c....
98 2GHL - LIB C23 H26 Cl N5 O3 C[C@@H](C(....
99 1ZZ2 ic50 = 6 uM B11 C24 H26 F N3 O4 S c1ccc(c(c1....
100 3ZSI - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
101 2YIW - YIW C30 H33 N7 O S CC(C)c1nnc....
102 5WJJ ic50 = 5.4 nM AQY C25 H19 F N6 O2 Cc1cc(ccc1....
103 1A9U - SB2 C21 H16 F N3 O S C[S@](=O)c....
104 1M7Q ic50 = 2.6 nM DQO C24 H20 Cl2 F2 N4 O c1cc(c(c(c....
105 5MTY Kd = 1.3 nM HB9 C29 H23 F2 N3 O4 S c1cc(sc1)C....
106 4EH7 - IRG C17 H16 N4 c1ccc(cc1)....
107 1YQJ ic50 = 7.3 nM 6NP C30 H27 N5 c1ccc(cc1)....
108 4EH3 - NAR C15 H12 O5 c1cc(ccc1[....
109 4AA5 ic50 = 6.7 nM NQB C24 H27 N5 O2 Cc1ccc(cc1....
110 1OVE ic50 = 0.74 nM 358 C26 H22 Cl2 F2 N2 O c1cc(c(c(c....
111 3UVP ic50 = 0.035 uM 048 C24 H21 F N2 O2 c1ccc(cc1)....
112 5N67 - 8ON C28 H30 N6 O CC(=O)N1CC....
113 3NNV ic50 = 27 nM 437 C25 H26 N4 O2 CC(C)(C)c1....
114 3CTQ ic50 = 40 nM 337 C30 H34 N6 O5 S Cc1ccc(cc1....
115 3IW7 - IPK C26 H26 N4 O S c1ccc(cc1)....
116 3ITZ ic50 = 1.4 nM P66 C21 H15 Cl F2 N6 O c1cc(c(c(c....
117 2ZB1 Ki = 0.48 uM GK4 C21 H21 N3 O2 Cc1ccc(cc1....
118 3HV5 ic50 = 150 nM R24 C30 H29 N7 O3 Cc1ccc(cc1....
119 1WBW ic50 = 44 uM LI4 C16 H14 N2 O c1ccc2c(c1....
120 3P79 ic50 = 2.3 uM P79 C24 H29 N5 O4 S CC(C)(C)c1....
121 3HV7 ic50 = 90 nM 1AU C24 H25 N5 O CC(C)(C)c1....
122 3GFE ic50 = 3.2 nM P37 C24 H21 F2 N5 O2 Cc1ccc(cc1....
123 3ZYA - 2A8 C21 H18 N2 O c1ccc2c(c1....
124 2RG5 ic50 = 3.1 nM 279 C19 H22 N6 O3 CCNC(=O)c1....
125 3L8X ic50 = 10 nM N4D C20 H18 N6 O Cc1ccc(cc1....
126 3GCS Kd = 56 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
127 3ZS5 - SB2 C21 H16 F N3 O S C[S@](=O)c....
128 3D83 Ki = 4.4 nM GK6 C28 H30 N4 O3 Cc1ccc(cc1....
129 1YW2 ic50 = 141 nM PGJ C22 H18 F N3 O5 CCOC[N@]1C....
130 1W82 ic50 = 196 nM L10 C20 H21 Cl N4 O CC(C)(C)C1....
131 3ZSG - T75 C24 H21 N3 O S CCc1nc(c(s....
132 5TCO Kd = 3.14 nM 79Q C35 H33 F N4 O4 c1ccc(cc1)....
133 4EH8 - IRG C17 H16 N4 c1ccc(cc1)....
134 3GCP Kd = 15 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
135 3HLL Ki = 0.0058 uM I45 C22 H19 Br F2 N2 O3 Cc1ccc(cc1....
136 1ZZL ic50 = 5 nM TZY C18 H15 F N4 O CC(C)c1nnc....
137 2RG6 ic50 = 2.2 nM 287 C25 H26 N6 O3 Cc1ccc(cc1....
138 3MPT ic50 = 0.25 uM 1GK C18 H16 N2 O3 Cc1ccccc1C....
139 1BL6 - SB6 C18 H16 F N3 c1cc(ccc1c....
140 3NNW ic50 = 9 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
141 3GI3 Kd < 1.8 nM B10 C33 H39 N5 O5 S CC(C)(C)c1....
142 3K3J - I46 C14 H9 F2 N3 c1cc(ccc1c....
143 3HEC ic50 = 70 uM STI C29 H31 N7 O Cc1ccc(cc1....
144 1IAN - D13 C21 H16 I N3 O S C[S@@](=O)....
145 3FC1 - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
146 3MVM ic50 = 13 nM 39P C22 H23 N7 O3 CCCNC(=O)c....
147 3NNU ic50 = 48 nM EDB C22 H17 Cl2 N5 O2 S c1cc(cc(c1....
148 1W7H ic50 = 1 mM 3IP C12 H12 N2 O c1ccc(cc1)....
149 3U8W ic50 = 1 nM 09J C24 H21 Cl F N5 O2 CCN1C(=O)C....
150 1WBS ic50 = 0.63 uM LI2 C26 H25 F N4 O2 c1cc2c(cc1....
151 4E6C Kd ~ 15 uM 0O8 C25 H53 N O4 P CCCCCCCCCC....
152 5N68 - 8OK C26 H27 N5 O c1ccc(cc1)....
153 1WBV ic50 = 162 uM LI3 C19 H18 F N3 O2 c1cc2c(cc[....
154 4EH2 - IRG C17 H16 N4 c1ccc(cc1)....
155 3HA8 - 5JZ C36 H38 N8 O5 CCOc1nc(nc....
156 3HEG ic50 = 0.057 uM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
157 2ZAZ Ki = 0.4 uM GK1 C20 H15 N3 O2 S Cc1ccc(cc1....
158 3HP5 - I46 C14 H9 F2 N3 c1cc(ccc1c....
159 5ML5 ic50 = 10 nM 1VI C26 H25 F N4 O3 S COc1ccc(c(....
160 4DLI Kd = 2.4 uM IRG C17 H16 N4 c1ccc(cc1)....
161 3P78 ic50 = 0.11 uM P78 C24 H27 N3 O4 S2 CC(C)(C)c1....
162 4EH9 - IRG C17 H16 N4 c1ccc(cc1)....
163 1YWR ic50 = 32 nM LI9 C27 H29 F N6 O C[C@@H](c1....
164 3IW5 Kd = 0.839 uM DF3 C28 H24 F3 N3 O4 S c1ccc2c(c1....
165 3HV3 ic50 = 900 nM R49 C30 H31 N7 O Cc1cccc(c1....
166 4A9Y - RNY C32 H37 N7 O4 Cc1ccc(cc1....
167 3GCU - R48 C29 H30 N8 O Cc1ccc(cc1....
168 1OUY ic50 = 4.3 nM 094 C24 H18 Cl2 F2 N4 O S c1cc(c(c(c....
169 3D7Z Ki = 12 nM GK5 C22 H24 N2 O2 Cc1ccc(cc1....
170 2YIS - YIS C35 H34 Cl N7 O3 S2 CC(C)(C)c1....
171 1OUK ic50 = 0.13 nM 084 C28 H29 F3 N6 C[C@@H](c1....
172 3BV2 Ki = 0.44 nM P38 C33 H32 N8 O3 Cc1ccc(cc1....
173 4R3C - GG5 C14 H10 F N3 c1cc(ccc1c....
174 4L8M ic50 = 0.001 uM F46 C33 H30 F N3 O5 c1ccc(cc1)....
175 4E6A - 0O9 C32 H65 O10 P CCCCCCCCCC....
176 1WBN ic50 = 0.35 uM L09 C20 H22 Cl N5 O2 CC(C)(C)c1....
177 2QD9 ic50 = 13 nM LGF C27 H24 F2 N6 O5 COc1c(cc2c....
178 3HUC Kd = 1030 nM G97 C20 H16 N6 O C=CC(=O)Nc....
179 3HL7 Ki = 0.023 uM I47 C20 H20 Cl N5 O2 c1cc(ccc1c....
180 4EHV - IRG C17 H16 N4 c1ccc(cc1)....
181 2GTN ic50 = 4 nM LIE C20 H16 F3 N5 O CC(C)n1c2c....
182 3HRB ic50 = 21 nM I39 C19 H14 F2 N2 O2 Cc1ccccc1c....
183 3BX5 ic50 = 1.5 nM 304 C17 H22 N4 O2 S CC[C@@H](C....
184 3HVC ic50 = 600 nM GG5 C14 H10 F N3 c1cc(ccc1c....
185 2GFS ic50 = 0.7 uM PQB C19 H18 F N3 O4 c1cc(cc(c1....
186 5N63 - 8OW C21 H17 F N4 c1ccc(cc1)....
187 2NPQ Kd = 3.08 uM BOG C14 H28 O6 CCCCCCCCO[....
188 3IW6 Kd = 3.29 uM PP0 C23 H31 N3 O3 CCn1c(c(c(....
189 3S4Q ic50 = 4 nM NK0 C25 H23 N5 O2 Cc1ccc(cc1....
190 2BAJ Kd = 4 nM 1PP C20 H20 Cl2 N4 O CC(C)(C)c1....
191 3ROC - 29B C14 H10 F N3 c1cc(ccc1c....
192 3NWW ic50 = 7 nM 3NW C24 H34 N8 O S CCNC(=O)NC....
193 1W83 ic50 = 0.065 uM L11 C23 H25 Cl F N3 O3 c1cc(cnc1)....
194 3ZSH - 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
195 3IPH Ki = 0.0000251 mM G11 C21 H23 N3 O2 Cc1ccc(cc1....
196 5MZ3 ic50 = 0.00021 uM 8EN C24 H19 F3 N4 O2 Cc1ccc(cc1....
197 3P7B ic50 = 0.018 uM P7B C25 H28 N4 O3 S CC(C)(C)c1....
198 3GCQ Kd = 342 nM 1BU C29 H30 N8 O Cc1cccc(c1....
199 4F9Y Ki = 184 nM LM3 C21 H18 N4 CN(C)c1cc(....
200 2BAL Kd = 490 nM PQA C21 H21 F N4 O2 c1cc(cc(c1....
201 3HUB Kd = 8.2 nM 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
202 4F9W Ki = 114 nM LM4 C21 H18 N4 CN(C)c1cc(....
203 3P5K ic50 = 0.076 uM P5K C24 H27 N3 O4 S2 CC(C)(C)c1....
204 2I0H ic50 = 9 nM 222 C27 H19 Cl2 F N4 O3 c1ccc2c(c1....
205 1ZYJ ic50 = 1.5 uM BI5 C19 H16 N2 O2 c1ccc(cc1)....
206 3K3I - JZJ C18 H16 Br N3 c1ccc2c(c1....
207 1WBT ic50 = 0.34 uM WBT C26 H25 F N4 O2 c1cc(cc2c1....
208 1BMK - SB5 C17 H16 F N5 c1cc(ccc1c....
209 3E92 Ki = 10 nM G6A C21 H21 N3 O2 Cc1ccc(cc1....
210 3P7A ic50 = 0.52 uM P7A C23 H27 N3 O3 S2 CC(C)(C)c1....
211 6ANL ic50 = 240 nM T75 C24 H21 N3 O S CCc1nc(c(s....
212 3NNX ic50 = 11 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
213 4EH4 - IRG C17 H16 N4 c1ccc(cc1)....
214 1KV1 Kd = 1.16 uM BMU C15 H19 Cl N4 O CC(C)(C)c1....
215 3KF7 ic50 = 40 nM L9G C22 H18 F2 N4 O Cc1ccc(cc1....
216 4KIN ic50 = 4.8 nM 1M8 C22 H19 Cl N2 O2 S Cc1ccc(cc1....
217 4AA4 ic50 = 9 nM QC0 C25 H25 N5 O3 Cc1ccc(cc1....
218 5XYY ic50 = 9.221 uM P0F C15 H12 Cl F N4 O c1cc(cc(c1....
219 3E93 Ki = 1.4 nM 19B C30 H32 N4 O3 Cc1ccc(cc1....
220 4AAC ic50 = 16 nM AAV C24 H24 N6 O3 Cc1ccc(cc1....
221 4AA0 ic50 = 35 nM AA0 C30 H33 N7 O3 Cc1ccc(cc1....
222 1OZ1 ic50 = 6.5 nM FPH C18 H12 F N3 O c1cc2c(c(c....
223 5N64 - 8OH C19 H16 N4 S c1ccc(cc1)....
224 3IW8 Kd = 13.4 uM HIZ C19 H18 Cl F N4 O2 S c1ccc(cc1)....
225 3TTI ic50 = 0.006 uM KBI C21 H23 F3 N6 O2 c1c(cc(c(c....
226 3TTJ ic50 = 0.21 uM JBI C23 H23 F N6 O COc1ccc(cc....
227 1JNK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
228 3KVX ic50 = 0.148 uM FMY C26 H27 F N8 O2 c1cc(ccc1/....
229 4H39 Kd = 0.8 uM PRO LYS ARG PRO THR THR LEU ASN LEU PHE n/a n/a
230 4AWI ic50 = 1 uM AQ2 C21 H25 N3 O4 S2 CC(C)c1cc2....
231 2O0U ic50 = 3.2 uM C0M C27 H28 N4 O2 S c1ccc2c(c1....
232 2P33 ic50 = 57 nM J07 C20 H23 Cl N6 O CCNC(=O)N1....
233 2ZDU - 446 C28 H23 Br N2 O6 COC(=O)C1=....
234 2B1P ic50 = 3 nM AIZ C26 H26 Cl N5 O3 CN(C)CCCC(....
235 2OK1 Ki = 0.55 uM 33A C21 H17 Cl N4 O c1ccc(cc1)....
236 3OXI ic50 = 2.2 uM SYY C12 H11 N O3 S2 COC(=O)c1c....
237 3OY1 ic50 = 0.016 uM 589 C28 H31 N5 O2 c1ccc2cc(c....
238 6EMH ic50 = 833 nM BGE C19 H21 N5 O Cc1c([nH]c....
239 2ZDT - 46C C26 H20 Cl N O4 CCC(=O)C1=....
240 3ELJ - GS7 C22 H21 F N6 O4 S COc1cc(ccc....
241 3FI2 ic50 = 0.025 uM JK1 C26 H25 N5 O5 COc1cc(cc(....
242 4L7F ic50 = 160 nM 1V5 C26 H26 F N5 O2 c1cc(ccc1C....
243 6EQ9 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
244 2WAJ ic50 = 0.398 uM SNB C16 H13 Br Cl N O COc1cc2c(c....
245 4QTD ic50 = 1080 nM 38Z C33 H33 N9 O2 c1cnc(nc1)....
246 6EKD ic50 = 184 nM B9K C20 H23 N5 O S Cc1c([nH]c....
247 3G9L Ki = 0.74 uM J67 C25 H19 F N2 O4 c1ccc(cc1)....
248 4Y46 ic50 = 11 nM 4F2 C22 H32 N6 O2 CC(C)NC(=O....
249 1PMN ic50 = 7.1 nM 984 C25 H30 Cl2 N6 CCCn1c(c(n....
250 3FI3 ic50 = 12 nM JK2 C29 H25 F N4 O4 COc1cc(cc(....
251 2O2U ic50 = 4 uM 738 C16 H13 F N2 O S c1ccc(c(c1....
252 4W4V ic50 = 866 nM 3H8 C23 H19 Cl N6 O2 Cc1cc(ccn1....
253 3DA6 - BZ9 C28 H23 N7 O Cc1cc(c2cc....
254 2R9S ic50 = 0.15 uM 255 C24 H24 N4 O2 S CC(C)(C)NS....
255 4Y5H ic50 = 15 nM 519 C20 H30 N6 O2 CC(C)NC(=O....
256 4X21 Kd = 36 nM 3WH C20 H23 I N6 O CCNC(=O)N1....
257 3RTP ic50 = 7 nM 34I C18 H14 N6 O2 S c1ccc2c(c1....
258 3PZE - CFK C12 H11 N3 O2 S c1ccc(cc1)....
259 4Z9L ic50 = 1.6 nM 880 C27 H34 Cl2 N6 CCCn1c(c(n....
260 4WHZ ic50 < 1 nM 3NL C24 H23 Cl N8 O2 c1ccc(c(c1....
261 4W4Y ic50 = 3034 nM 3HQ C24 H22 N6 O2 Cc1ccc(cc1....
262 4W4W ic50 = 6630 nM 3HJ C23 H20 N6 O2 Cc1cc(ccn1....
263 3G90 Ki = 0.44 uM J72 C17 H12 F2 N2 O4 c1cc2c(cc1....
264 1PMV ic50 = 150 nM 537 C14 H8 N2 O c1ccc2c(c1....
265 3GC8 - B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
266 3GC9 - B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
267 2PVH Ki = 0.26 uM P19 C17 H14 N6 c1ccc(cc1)....
268 5BYZ ic50 = 0.042 uM 4WE C25 H32 F N7 O Cc1ncc(n1C....
269 4ZSJ ic50 = 2.3 uM 4R0 C13 H17 Cl N6 O Cc1cc(ccc1....
270 4ZSG - 4QX C12 H15 Cl N6 O CC(C)NC(=O....
271 2F9G - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
272 2B9F - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
273 5AWM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
274 4EYM - 0RX C21 H20 N4 O3 c1cc(ccc1N....
275 5EKO ic50 = 15785 nM N17 C22 H18 N4 O2 Cc1cn(cn1)....
276 4EYJ - N61 C20 H23 N5 O2 CC(C)(C)c1....
277 1CM8 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
278 4QTB Kd = 0.084 uM 38Z C33 H33 N9 O2 c1cnc(nc1)....
279 2ZOQ ic50 = 0.9 uM 5ID C11 H13 I N4 O4 c1c(c2c(nc....
280 3NPC - B96 C31 H37 N5 O3 Cc1ccc(cc1....
281 3E7O ic50 = 120 nM 35F C20 H14 N6 O2 c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3G7; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 3G7 1 1
2 F3Z 0.459677 0.716216
3 38Z 0.459677 0.716216
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5BVE; Ligand: 4VG; Similar sites found with APoc: 880
This union binding pocket(no: 1) in the query (biounit: 5bve.bio1) has 60 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 1ZEI CRS None
3 1TUK PGM None
4 1UO5 PIH None
5 4WG0 CHD None
6 1WAP TRP None
7 6FX2 FUC C4W NAG BMA MAN NAG GAL None
8 4X3H ARG ILE PRO SER TYR ARG TYR ARG TYR None
9 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
10 1OGZ EQU None
11 3TA2 AKG None
12 3FXU TSU 0.655738
13 2AQX ATP 1.03806
14 4GV8 DUP 1.18343
15 5HV7 RBL 1.38504
16 1F9V ADP 1.44092
17 4Y4V DAL 1.47493
18 5NM7 GLY 1.50376
19 1I7E IBS 1.50943
20 3AKK ADP 1.53846
21 3P7N FMN 1.55039
22 4D4U FUC GAL NAG 1.5873
23 2QK4 ATP 1.66205
24 3DNT ATP 1.66205
25 1Y42 TYR 1.66205
26 5ENZ UDP 1.66205
27 4ZH7 FUC GAL NAG GAL FUC 1.66205
28 5GQX GLC GLC GLC GLC GLC GLC GLC 1.66205
29 4GCZ FMN 1.66205
30 5FXD H7Y 1.66205
31 2GJP MAL 1.66205
32 1V9A SAH 1.67364
33 6BMN PAP 1.69492
34 1GQG DCD 1.71429
35 1QY1 PRZ 1.72414
36 2I4O ATP 1.74672
37 5T96 79J 1.75439
38 5EXK MET 1.81269
39 1TZD ADP 1.81818
40 6BXO SAH 1.83486
41 1SU2 ATP 1.88679
42 2IF8 ADP 1.92837
43 1Q7E MET 1.93906
44 1VRP ADP 1.93906
45 1U6R ADP 1.93906
46 5EQY 5RA 1.93906
47 5C9P FUC 1.93906
48 1U6R IOM 1.93906
49 3OV6 MK0 1.93906
50 1VRP IOM 1.93906
51 3K5I ADP 1.93906
52 5JDA AMP 1.94986
53 4PYW ACE THR THR ALA ILE NH2 1.9802
54 3IO3 ADP 2.01149
55 5EJL C2E 2.01613
56 5O96 SAM 2.04082
57 3THR C2F 2.04778
58 3ZJX BOG 2.07612
59 2R00 OEG 2.08333
60 3SJK LYS PRO VAL LEU ARG THR ALA 2.10526
61 2RIF AMP 2.12766
62 5NE2 DGL 2.15827
63 5TDF ADP 2.16049
64 1X8X TYR 2.17391
65 5I35 ANP 2.21607
66 4GYI ADP 2.21607
67 1ELI PYC 2.21607
68 3TY5 ADP 2.21607
69 3NKS ACJ 2.21607
70 2YW2 ATP 2.21607
71 1GPM AMP 2.21607
72 5FPX GLY SER SER HIS HIS HIS HIS HIS 2.21607
73 4B0T ADP 2.21607
74 4K37 SAM 2.21607
75 4H1V GNP 2.21607
76 4K39 SAM 2.21607
77 3MF2 AMP 2.21607
78 6A5K SAM 2.21607
79 3ZDS HMQ 2.21607
80 2WME NAP 2.21607
81 2ZTG A5A 2.21607
82 4K38 SAM 2.21607
83 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 2.23214
84 4BG4 ADP 2.24719
85 1W8S FBP 2.28137
86 4DE2 DN3 2.28137
87 1P0Z FLC 2.29008
88 5HWV MBN 2.30769
89 2IRY DGT 2.31023
90 1E4E ADP 2.33236
91 1Q0R AKT 2.34899
92 3ACL 3F1 2.36486
93 6E8I PTR 2.36686
94 4ZGP ADP 2.38908
95 4OJ8 AKG 2.38908
96 1ZNY GDP 2.41546
97 3B6O TMP 2.42915
98 5D9G GLU ASN LEU TYR PHE GLN 2.43902
99 3VPB ADP 2.48227
100 3VPC ADP 2.48227
101 4MOB ADP 2.49307
102 3TII ANP 2.49307
103 4RD0 GDP 2.49307
104 2VPQ ANP 2.49307
105 5VZ0 ADP 2.49307
106 5GZ9 ANP 2.49307
107 2OJW ADP 2.49307
108 5OSW DIU 2.49307
109 4PU5 ANP 2.49307
110 1HFU NAG NDG 2.49307
111 4UWH JXM 2.49307
112 5UY8 AMZ 2.49307
113 2ZYI STE 2.49307
114 2X3J ATP 2.49307
115 6BLD DXJ 2.49307
116 3OKA GDD 2.49307
117 5FPE 3TR 2.49307
118 3OKP GDD 2.49307
119 5CGE 51F 2.52708
120 2BMB PMM 2.56881
121 4CSD MFU 2.57353
122 2I6A 5I5 2.6087
123 1GNY XYP XYP XYP XYP XYP 2.61438
124 1J3R 6PG 2.63158
125 6E2B PT7 2.63158
126 6CZI 38E 2.67857
127 2W5P CL8 2.68456
128 2G30 ALA ALA PHE 2.71318
129 2PUL ACP 2.77008
130 1I7L ATP 2.77008
131 3JU6 ANP 2.77008
132 2YBP 2HG 2.77008
133 2OS2 OGA 2.77008
134 1F52 ADP 2.77008
135 4CJN QNZ 2.77008
136 2GVJ DGB 2.77008
137 3P3Z P3Z 2.77008
138 4OE4 NAD 2.77008
139 2FN1 PYR 2.77008
140 4OCJ NDG 2.77008
141 2IW3 ADP 2.77008
142 3CXO 1N5 2.77008
143 3G5N PB2 2.77008
144 4DXD 9PC 2.77778
145 1S68 AMP 2.81124
146 1KDK DHT 2.82486
147 1NE6 SP1 2.82686
148 4JZ8 CIT 2.83912
149 4R38 RBF 2.85714
150 2QHV OC9 2.85714
151 4ZS4 ATP 2.9316
152 4DXG NDG FUC SIA GAL 2.94118
153 1JG3 VAL TYR PRO IAS HIS ALA 2.97872
154 2FT0 ACO 2.97872
155 2QBU SAH 3.01724
156 1CKM GTP 3.0303
157 1CKN GTP 3.0303
158 4OCV ANP 3.04709
159 1M0W ANP 3.04709
160 1YKD CMP 3.04709
161 4PAB THG 3.04709
162 5MW8 ATP 3.04709
163 2HGS ADP 3.04709
164 6C1S EFV 3.04709
165 2R2N KYN 3.04709
166 2YRX AMP 3.04709
167 4XJ6 GH3 3.04709
168 5YSN 5AD 3.04709
169 4KCT PYR 3.04709
170 3B1Q NOS 3.06748
171 3BY9 SIN 3.07692
172 2Z6C FMN 3.10078
173 3TUR DGL 3.13589
174 3TUR 6CL 3.13589
175 5L9B AKG 3.1746
176 3QPB URA 3.19149
177 2QGI UDP 3.22581
178 5JJU AMP 3.23529
179 2J9L ATP 3.24324
180 5A04 BGC 3.24484
181 4C5N ACP 3.26087
182 4S1D 41M 3.27103
183 3PDT ADP 3.27273
184 2IMG MLT 3.31126
185 4RW3 TDA 3.31126
186 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 3.31126
187 4OKD GLC GLC GLC 3.3241
188 3B6R ADP 3.3241
189 2IVD ACJ 3.3241
190 1EHI ADP 3.3241
191 1JQN DCO 3.3241
192 4NS3 NAD 3.3241
193 4FMS BDP 3.3241
194 1F6D UDP 3.3241
195 5NW7 9C2 3.3241
196 4LH7 1X8 3.40557
197 4WGF HX2 3.41463
198 1KZN CBN 3.41463
199 3A1C ACP 3.48432
200 1ZTH ADP 3.48837
201 1ZP9 ATP 3.48837
202 3RE4 TO1 3.48837
203 1SDW IYT 3.50318
204 3LF0 ATP 3.50877
205 1QKQ MAN 3.52113
206 4Z3E GAL NGA GLA BGC GAL 3.53535
207 3F4F UMP 3.59281
208 3OCP CMP 3.59712
209 5YK1 ANP 3.60111
210 2VQD AP2 3.60111
211 5MRH Q9Z 3.60111
212 4CC6 L5Y 3.60111
213 3JQ3 ADP 3.60111
214 5O9W AKG 3.60111
215 2Z49 AMG 3.60111
216 2Z48 A2G 3.60111
217 4XNV BUR 3.60111
218 3AB4 THR 3.60111
219 2Z48 NGA 3.60111
220 1BW9 NAD 3.65169
221 1BW9 PPY 3.65169
222 3WBD SIA SIA SIA SIA SIA SIA SIA 3.65854
223 1C1X HFA 3.66197
224 4IEN GDP 3.68098
225 1I82 BGC BGC 3.7037
226 5TZO 7V7 3.7234
227 5CPR 539 3.73134
228 1FWV SGA MAG FUC 3.73134
229 3UYW TAU 3.73832
230 2Y2B AH0 3.74332
231 2Q7D ANP 3.75723
232 5A4W QCT 3.77358
233 3E2M E2M 3.78378
234 3AIA SAM 3.79147
235 3BP1 GUN 3.7931
236 5F90 GLA GAL BGC 5VQ 3.84615
237 5F90 GLA GAL 3.84615
238 3A28 NAD 3.87597
239 4LRJ ANP 3.87812
240 2Z3U CRR 3.87812
241 1OFL NGK GCD 3.87812
242 5L2R MLA 3.87812
243 5FI4 5XV 3.87812
244 5TT6 ATP 3.87812
245 3QSB 743 3.87812
246 1CT9 AMP 3.87812
247 5DXT 5H5 3.87812
248 4OBW SAM 3.89105
249 3KYF 5GP 5GP 3.8961
250 5XEG AKG 3.8961
251 3T50 FMN 3.90625
252 5LX9 OLB 3.90879
253 1YXM ADE 3.9604
254 3QXV MTX 3.96825
255 2PS1 ORO 3.9823
256 4XBA GMP 4
257 1TLG GAL 4
258 3W0O HY0 4.01146
259 3W0O ADP 4.01146
260 1ZZ7 S0H 4.0404
261 2YPI PGA 4.04858
262 4LCN GNG 4.06091
263 3PN1 IVH 4.08805
264 2FR6 CTN 4.10959
265 1GSA ADP 4.11392
266 1XVB BHL 4.11765
267 1XVB BHL BHL 4.11765
268 1C3X 8IG 4.13534
269 4RF7 ARG 4.15512
270 4U98 ACP 4.15512
271 5KJW 53C 4.15512
272 1RYD GLC 4.15512
273 4KYS VIB 4.15512
274 3E7S AT2 4.15512
275 2H92 C5P 4.15512
276 3IWJ NAD 4.15512
277 5DQ8 FLF 4.15512
278 2ORO 228 4.15512
279 2EQA AMP 4.15512
280 1I1Q TRP 4.16667
281 4ZU5 THM 4.16667
282 5O3Q CMP 4.16667
283 4XDA RIB 4.20712
284 3NZ1 3NY 4.21456
285 3ETH ATP 4.22535
286 4G86 BNT 4.22535
287 5YYF PHQ GLN THR ALA ARG LYS NH2 FOA 4.25532
288 5FLJ QUE 4.30108
289 4XMF HSM 4.34783
290 2CBO TH2 4.34783
291 4NJH 2K8 4.34783
292 4NJH SAM 4.34783
293 1ONI BEZ 4.34783
294 4ARU TLA 4.43213
295 6E1Q CFA 4.43213
296 4UYW H1S 4.43213
297 3BEO UDP 4.43213
298 5V7I 8Z1 4.43213
299 2D3N GLC GLC GLC 4.43213
300 1T36 ADP 4.43213
301 3V4S ATP 4.43213
302 1RZM E4P 4.43787
303 3T4L ZEA 4.44444
304 4RT1 C2E 4.46429
305 3WG3 A2G GAL NAG FUC 4.49438
306 3ZXE PGZ 4.51128
307 4AZ3 S35 4.51613
308 2WKQ FMN 4.51807
309 5FUI APY 4.54545
310 2PR5 FMN 4.54545
311 5ZCT ANP 4.57516
312 5GLT BGC GAL NAG GAL 4.57746
313 1UYY BGC BGC 4.58015
314 1XFF GLU 4.58333
315 2RHO GDP 4.61538
316 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 4.62963
317 6EWZ APC 4.64135
318 4NFE BEN 4.64135
319 4O9S 2RY 4.65116
320 4V03 ADP 4.66926
321 6F9G PUT 4.6729
322 4QM7 GTP 4.67836
323 3VOT ADP 4.70914
324 5VLQ ANP 4.70914
325 4QDC ASD 4.70914
326 4L77 CNL 4.70914
327 3HQP OXL 4.70914
328 5LRT ADP 4.70914
329 2DVX 23A 4.70914
330 5F91 5WJ 4.70914
331 1PJS SAH 4.70914
332 5K2M ADP 4.7619
333 5D63 FUC GLA GLA 4.77816
334 1JOC ITP 4.8
335 4K55 H6P 4.83871
336 4WQQ MAN 4.96454
337 3VPD ANP 4.98221
338 5KBF CMP 4.98339
339 1HXD BTN 4.98442
340 5OES ADP 4.98615
341 5JBE MAL 4.98615
342 3KAL ADP 4.98615
343 1WW5 SGA BGC 5
344 4TS1 TYR 5.01567
345 4N14 WR7 5.09554
346 1NU4 MLA 5.15464
347 2RDE C2E 5.17928
348 1A78 TDG 5.22388
349 6CGD AKN 5.2459
350 6CGD GNP 5.2459
351 5YJS SAL 5.26316
352 4CYI ATP 5.26316
353 2IO8 ADP 5.26316
354 1LSH PLD 5.26316
355 1GJW GLC 5.26316
356 1SWG BTN 5.26316
357 1M6P M6P 5.26316
358 3F5A SIA GAL NAG 5.28455
359 2WBV SIA 5.29101
360 5L83 ASP TRP GLU ILE VAL 5.35714
361 5OFW 9TW 5.38117
362 6EV2 BGC 5.40541
363 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 5.42986
364 5EO8 TFU 5.46624
365 2V0U FMN 5.47945
366 4J5R A1R 5.47945
367 3SE5 ANP 5.4878
368 3O0W MAN MAN MAN GLC 5.49451
369 4R78 AMP 5.50162
370 1PVC ILE SER GLU VAL 5.53506
371 2CFM AMP 5.54017
372 3WVR AMP 5.54017
373 4XYM A12 5.54017
374 1AUA BOG 5.54017
375 4IP7 FLC 5.54017
376 2CHN NGT 5.54017
377 5EYP LOC 5.54017
378 2YKL NLD 5.55556
379 5VKM GAL SIA 5.55556
380 5TWJ SAM 5.55556
381 4GLW 0XT 5.57377
382 1BC5 ACE ASN TRP GLU THR PHE 5.57621
383 2ICK DMA 5.5794
384 1C5C TK4 5.5814
385 6FOF LAT 5.61225
386 1J6X MET 5.625
387 4QPW XYP XYP XYP 5.6338
388 5GM9 CBI 5.6338
389 1W2D ADP 5.66038
390 1W2D 4IP 5.66038
391 3KYG 5GP 5GP 5.72687
392 1G1T SIA GAL MAG FUC 5.73248
393 4M5S GLY GLU ARG THR ILE PRO ILE THR ARG GLU 5.74713
394 5DNC ASN 5.78231
395 3X01 AMP 5.81717
396 4AZW ATP 5.81717
397 4WOE ADP 5.81717
398 3WUC GLC GAL 5.83942
399 4Y24 TD2 5.84416
400 4IAW LIZ 5.85106
401 1OBD ATP 5.88235
402 5C1P ADP 5.88235
403 4YLZ LAT NAG GAL 5.88235
404 4LI4 AMP 5.88235
405 5DYO FLU 5.9633
406 3I7V B4P 5.97015
407 2P7Q GG6 6.01504
408 3BF1 PAU 6.0241
409 4ZU4 4TG 6.08108
410 4EES FMN 6.08696
411 3CF6 SP1 6.09418
412 5KR7 6X9 6.09418
413 2XOC ADP 6.13027
414 6GVZ CHO 6.22951
415 3VV1 GAL FUC 6.25
416 2GQS C2R 6.32911
417 2GQR ADP 6.32911
418 2GQS ADP 6.32911
419 4DOO DAO 6.34146
420 1F5F DHT 6.34146
421 3HAV ATP 6.35452
422 3ORQ ADP 6.36605
423 5F6U 5VK 6.36943
424 1DZK PRZ 6.36943
425 2PYW ADP 6.37119
426 6I6X TLA 6.37119
427 2GEK GDP 6.37119
428 1UA4 AMP 6.37363
429 1QXA GLY GLY GLY 6.38298
430 1RL4 BRR 6.38298
431 1TQP ATP 6.38298
432 5JH2 A2P 6.45161
433 5X2N ALA 6.45161
434 5TH5 MET 6.46388
435 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 6.52174
436 2V1O COA 6.62252
437 5VNF VAL THR SER VAL VAL 6.6482
438 5AE9 OKO 6.6482
439 1OKE BOG 6.6482
440 6EZ6 C5Z 6.6482
441 2BS5 BGC GAL FUC 6.66667
442 2GJ3 FAD 6.66667
443 3OYW TDG 6.71642
444 1DCP HBI 6.73077
445 1Q8V MAN MAN MAN 6.74603
446 4HIA FMN 6.81818
447 4DFU QUE 6.8323
448 4PZ6 GMP 6.92521
449 5G48 1FL 6.92521
450 3WXL ADP 6.92521
451 3MBI HSX 6.92521
452 1VA6 ADP 6.94981
453 5H9P TD2 6.96203
454 4B9E FAH 6.97674
455 5ZFJ 9BF 7.04846
456 5COU ATP 7.05882
457 4NPT 017 7.07071
458 2BKK ADP 7.19697
459 5LHT TIH 7.20222
460 3TM0 ANP 7.22433
461 3TM0 B31 7.22433
462 4BH1 SIA GAL NAG 7.22892
463 5BV6 35G 7.23684
464 3EXS 5RP 7.23982
465 6CFC BLG 7.25191
466 6G34 5ID 7.28291
467 4OUC 5ID 7.28291
468 4DR9 BB2 7.29167
469 5VM6 9EG 7.29927
470 1N9L FMN 7.33945
471 3I0O ADP 7.37463
472 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 7.3913
473 6GG9 FMN 7.40741
474 5C4L 4XR 7.47664
475 5C4L SIS 7.47664
476 5Y4R C2E 7.48299
477 1IA9 ANP 7.5
478 5F7Y GLC GAL NAG GAL FUC A2G 7.5
479 5F7N NAG GAL FUC FUC A2G 7.5
480 2BVE PH5 7.56302
481 4B1M FRU FRU 7.56757
482 5XG5 A2G 7.58621
483 2HKA C3S 7.69231
484 3T64 DU3 7.73481
485 5F7J ADE 7.75623
486 3OQJ 3CX 7.7821
487 5XLY C2E 7.82918
488 5ODY 9SK 7.97101
489 1JGS SAL 7.97101
490 1ULE GLA GAL NAG 8
491 1G51 AMP 8.03324
492 5XQW 8EU 8.05687
493 1PZM 5GP 8.05687
494 4O4F ATP 8.06452
495 4O4F IHP 8.06452
496 5TVF CGQ 8.07018
497 5AVF TAU 8.17121
498 5W10 CMP 8.20513
499 5LUN OGA 8.23864
500 2EB5 OXL 8.2397
501 3S6X SIA GAL BGC 8.30769
502 5J75 6GQ 8.33333
503 4RYV ZEA 8.3871
504 5C3R AKG 8.45481
505 5C3R HMU 8.45481
506 1Y7P RIP 8.52018
507 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 8.56031
508 4M1U A2G MBG 8.57143
509 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA 8.57143
510 3Q60 ATP 8.58726
511 3GNP SOG 8.58726
512 3T34 GDP 8.61111
513 2XG5 EC2 8.67052
514 2XG5 EC5 8.67052
515 4XZ3 ACP 8.69565
516 3LQV ADE 8.69565
517 3QX9 ATP 8.69565
518 4RDL FUC GAL NDG FUC 8.76623
519 1UNQ 4IP 8.8
520 3TDV GDP 8.82353
521 2CJU PHX 8.84956
522 5LXT ACP 8.86427
523 4O1P ANP 8.86427
524 4IPH 1FJ 8.94309
525 3T2W BTN 9.01639
526 2GC0 PAN 9.04255
527 1Q3P GLU ALA GLN THR ARG LEU 9.17431
528 3KIH GDL 9.27835
529 1I1E DM2 9.41828
530 5IM3 DTP 9.41828
531 4R8L ASP 9.41828
532 5W75 SUC 9.43878
533 4RLT FSE 9.49367
534 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 9.52381
535 1S4M LUM 9.55631
536 5DKK FMN 9.65517
537 4YVN EBS 9.69529
538 5DZT AMP 9.69529
539 1IHU AF3 9.69529
540 4KU7 PCG 9.80392
541 3KP6 SAL 9.93377
542 6FL8 TIY 9.9723
543 6FL8 ADP 9.9723
544 3UDZ ADP 9.9723
545 1VHZ APR 10.101
546 5ZMY TAR 10.1911
547 5SVV FMN 10.219
548 4NOS ITU 10.2493
549 5O5Y GLC 10.2493
550 5T7I LAT NAG GAL 10.3226
551 4WW7 AMP 10.3448
552 1PK8 ATP 10.5263
553 5G6U TRP 10.5263
554 2V58 LZJ 10.5263
555 4FE2 AIR 10.5882
556 4FE2 ADP 10.5882
557 3ZO7 K6H 10.6383
558 1N5S ADL 10.7143
559 2ZHL NAG GAL GAL NAG 10.8108
560 5TVI MYR 10.8696
561 3HCH RSM 10.9589
562 2D3Y DU 10.9589
563 5JAX 6J7 11.1111
564 3K56 IS3 11.2782
565 5DJT FMN 11.4754
566 5DJU FMN 11.4754
567 1C1L GAL BGC 11.6788
568 6GMN F4E 11.7284
569 3NCQ ATP 11.7647
570 1AUX