Receptor
PDB id Resolution Class Description Source Keywords
1F5L 2.1 Å EC: 3.4.21.73 UROKINASE PLASMINOGEN ACTIVATOR B-CHAIN-AMILORIDE COMPLEX HOMO SAPIENS UROKINASE INHIBITOR SERINE PROTEASE HUMAN HYDROLASE
Ref.: CRYSTALS OF THE UROKINASE TYPE PLASMINOGEN ACTIVATOR VARIANT BETA(C)-UPAIN COMPLEX WITH SMALL MOLECULE INHIBITORS OPEN THE WAY TOWARDS STRUCTURE-BASED DRUG DESIGN. J.MOL.BIOL. V. 301 465 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMR A:301;
Valid;
none;
Ki = 5.3 uM
229.627 C6 H8 Cl N7 O c1(c(...
SO4 A:501;
A:502;
Invalid;
Invalid;
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
1SQA 2 Å EC: 3.4.21.73 SUBSTITUTED 2-NAPHTHAMIDINE INHIBITORS OF UROKINASE HOMO SAPIENS PLASMINOGEN ACTIVATION HYDROLASE SERINE PROTEASE GLYCOPROTEIN KRINGLE EGF-LIKE DOMAIN
Ref.: INTERACTION WITH THE S1BETA-POCKET OF UROKINASE: 8-HETEROCYCLE SUBSTITUTED AND 6,8-DISUBSTITUTED 2-NAPHTHAMIDINE UROKINASE INHIBITORS. BIOORG.MED.CHEM.LETT. V. 14 3063 2004
Members (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1W0Z Ki = 21 nM SI1 C18 H29 N5 O5 S [H]/N=C(c1....
2 4ZHL Kd = 0.0147 uM CYS PRO ALA TYR SER ARG TYR ILE GLY CYS n/a n/a
3 2VIV ic50 = 520 nM VG2 C22 H28 Cl N3 O2 Cc1cc(cc(c....
4 1SC8 Ki = 0.036 uM 2IN C20 H25 N5 O5 S c1ccc(cc1)....
5 1OWE Ki = 0.631 uM 675 C18 H15 N3 O [H]/N=C(/c....
6 4X1Q - CYS PRO ALA TYR SER ARG TYR LEU ASP CYS n/a n/a
7 2VIP ic50 = 5.2 uM L1R C18 H20 Cl2 N2 O3 CC(C)Oc1cc....
8 5ZAF Ki = 166 nM 28I C16 H21 N7 O2 [H]/N=C(N)....
9 1SQT Ki = 0.63 uM UI3 C16 H16 N4 O3 S [H]/N=C(/c....
10 1W13 Ki = 2 nM SM1 C21 H28 N6 O5 S [H]/N=C(/N....
11 1OWH Ki = 40 nM 239 C19 H18 N4 O [H]/N=C(/c....
12 1EJN Ki = 2.4 uM AGB C19 H27 N5 O [H]/N=C(/N....
13 4ZHM Kd = 0.00081 uM MRZ CYS PRO ALA TYR SER ALA TYR ILE GLY CYS n/a n/a
14 2VIN ic50 > 1 mM 505 C11 H17 N O Cc1cccc(c1....
15 5ZA8 Ki = 508 nM 27I C16 H23 N9 O [H]/N=C(/N....
16 5ZA7 Ki = 1356 nM HMX C12 H18 Cl N7 O C1CCCN(CC1....
17 4X0W - MRZ CYS PRO ALA TYR SER DAL TYR LEU ASP CYS n/a n/a
18 1U6Q - 745 C20 H18 N2 [H]/N=C(/c....
19 5ZA9 Ki = 183 nM 50I C20 H23 N7 O2 [H]/N=C(/N....
20 2VIQ ic50 = 1.3 uM D55 C21 H28 N2 O4 CCOc1ccc(c....
21 4X1P - CYS PRO ALA TYR SER DAL TYR LEU ASP CYS MRZ n/a n/a
22 6NMB Ki = 2.01 mM AMH C8 H15 N O2 C1CC(CCC1C....
23 5ZAG Ki = 108 nM 94I C16 H21 N9 O [H]/N=C(N)....
24 5ZC5 Ki = 88 nM 09I C20 H22 F N7 O2 [H]/N=C(/N....
25 1VJ9 Ki = 0.028 uM 5IN C28 H33 N5 O6 S c1ccc(cc1)....
26 1F5K Ki = 180 uM BAM C7 H9 N2 c1ccc(cc1)....
27 5ZAE Ki = 156 nM EAU C16 H21 N7 O2 [H]/N=C(/N....
28 1OWD Ki = 6.3 nM 497 C23 H24 N4 O CC[C@H]1CN....
29 2VNT Ki = 9.9 nM QGG C15 H16 Cl N5 O4 S c1cc2c(cc1....
30 2VIO ic50 = 40 uM L1O C9 H9 Cl2 N O3 c1c(cc(c(c....
31 1F5L Ki = 5.3 uM AMR C6 H8 Cl N7 O c1(c(nc(c(....
32 5ZAJ Ki = 42 nM 32I C18 H25 N9 O3 [H]/N=C(/N....
33 2R2W Ki = 34 uM 4PG C15 H15 N3 O [H]/N=C(/N....
34 2VIW ic50 = 72 nM D56 C24 H32 Cl N3 O3 CCOc1c(cc(....
35 1W11 Ki = 6 nM SK1 C21 H27 N5 O5 S [H]/N=C(c1....
36 1SQA Ki = 0.00062 uM UI1 C23 H21 N7 O c1cnc(nc1)....
37 1VJA Ki = 0.02 uM 7IN C21 H27 N5 O6 S c1ccc(cc1)....
38 1SQO Ki = 0.035 uM UI2 C15 H13 N5 c1cc2ccc(c....
70% Homology Family (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6A8N Ki = 6.8 nM CYS PRO ALA TYR SER ARG TYR ILE GLY CYS n/a n/a
2 1W0Z Ki = 21 nM SI1 C18 H29 N5 O5 S [H]/N=C(c1....
3 4ZHL Kd = 0.0147 uM CYS PRO ALA TYR SER ARG TYR ILE GLY CYS n/a n/a
4 2VIV ic50 = 520 nM VG2 C22 H28 Cl N3 O2 Cc1cc(cc(c....
5 1SC8 Ki = 0.036 uM 2IN C20 H25 N5 O5 S c1ccc(cc1)....
6 1OWE Ki = 0.631 uM 675 C18 H15 N3 O [H]/N=C(/c....
7 4X1Q - CYS PRO ALA TYR SER ARG TYR LEU ASP CYS n/a n/a
8 2VIP ic50 = 5.2 uM L1R C18 H20 Cl2 N2 O3 CC(C)Oc1cc....
9 5ZAF Ki = 166 nM 28I C16 H21 N7 O2 [H]/N=C(N)....
10 1SQT Ki = 0.63 uM UI3 C16 H16 N4 O3 S [H]/N=C(/c....
11 1W13 Ki = 2 nM SM1 C21 H28 N6 O5 S [H]/N=C(/N....
12 1OWH Ki = 40 nM 239 C19 H18 N4 O [H]/N=C(/c....
13 1EJN Ki = 2.4 uM AGB C19 H27 N5 O [H]/N=C(/N....
14 4ZHM Kd = 0.00081 uM MRZ CYS PRO ALA TYR SER ALA TYR ILE GLY CYS n/a n/a
15 2VIN ic50 > 1 mM 505 C11 H17 N O Cc1cccc(c1....
16 5ZA8 Ki = 508 nM 27I C16 H23 N9 O [H]/N=C(/N....
17 5ZA7 Ki = 1356 nM HMX C12 H18 Cl N7 O C1CCCN(CC1....
18 4X0W - MRZ CYS PRO ALA TYR SER DAL TYR LEU ASP CYS n/a n/a
19 1U6Q - 745 C20 H18 N2 [H]/N=C(/c....
20 5ZA9 Ki = 183 nM 50I C20 H23 N7 O2 [H]/N=C(/N....
21 2VIQ ic50 = 1.3 uM D55 C21 H28 N2 O4 CCOc1ccc(c....
22 4X1P - CYS PRO ALA TYR SER DAL TYR LEU ASP CYS MRZ n/a n/a
23 6NMB Ki = 2.01 mM AMH C8 H15 N O2 C1CC(CCC1C....
24 5ZAG Ki = 108 nM 94I C16 H21 N9 O [H]/N=C(N)....
25 5ZC5 Ki = 88 nM 09I C20 H22 F N7 O2 [H]/N=C(/N....
26 1VJ9 Ki = 0.028 uM 5IN C28 H33 N5 O6 S c1ccc(cc1)....
27 1F5K Ki = 180 uM BAM C7 H9 N2 c1ccc(cc1)....
28 5ZAE Ki = 156 nM EAU C16 H21 N7 O2 [H]/N=C(/N....
29 1OWD Ki = 6.3 nM 497 C23 H24 N4 O CC[C@H]1CN....
30 2VNT Ki = 9.9 nM QGG C15 H16 Cl N5 O4 S c1cc2c(cc1....
31 2VIO ic50 = 40 uM L1O C9 H9 Cl2 N O3 c1c(cc(c(c....
32 1F5L Ki = 5.3 uM AMR C6 H8 Cl N7 O c1(c(nc(c(....
33 5ZAJ Ki = 42 nM 32I C18 H25 N9 O3 [H]/N=C(/N....
34 2R2W Ki = 34 uM 4PG C15 H15 N3 O [H]/N=C(/N....
35 2VIW ic50 = 72 nM D56 C24 H32 Cl N3 O3 CCOc1c(cc(....
36 1W11 Ki = 6 nM SK1 C21 H27 N5 O5 S [H]/N=C(c1....
37 1SQA Ki = 0.00062 uM UI1 C23 H21 N7 O c1cnc(nc1)....
38 1VJA Ki = 0.02 uM 7IN C21 H27 N5 O6 S c1ccc(cc1)....
39 1SQO Ki = 0.035 uM UI2 C15 H13 N5 c1cc2ccc(c....
50% Homology Family (468)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1V2V Ki = 427 uM BEN C7 H8 N2 [H]/N=C(c1....
2 2ZDN - 49U C21 H30 N4 O2 [H]/N=C(c1....
3 2ZQ1 - 11U C21 H31 N5 O2 [H]/N=C(/c....
4 1TNH Ki = 0.43 mM FBA C7 H9 F N c1cc(ccc1C....
5 2BYA - BAM C7 H9 N2 c1ccc(cc1)....
6 6SV0 - BEN C7 H8 N2 [H]/N=C(c1....
7 1Y5A Ki = 1.33 uM TL2 C20 H22 N4 O4 [H]/N=C(c1....
8 5MNG - BAM C7 H9 N2 c1ccc(cc1)....
9 6SW0 - BEN C7 H8 N2 [H]/N=C(c1....
10 2AYW - ONO C28 H31 N5 O6 CC(C)(C)[C....
11 6SV9 - BEN C7 H8 N2 [H]/N=C(c1....
12 6SVR - BEN C7 H8 N2 [H]/N=C(c1....
13 1Y3Y Ki = 2300 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
14 3PTB - BEN C7 H8 N2 [H]/N=C(c1....
15 5FXL - BEN C7 H8 N2 [H]/N=C(c1....
16 1O2I Ki = 0.052 uM 655 C19 H20 N4 O2 c1cc(c(c(c....
17 1GI6 Ki = 1.7 uM 124 C15 H14 N3 O c1ccc(c(c1....
18 5MON Kd = 3.3 mM 2AP C5 H7 N2 c1cc[nH+]c....
19 1O3D Ki = 0.074 uM 780 C20 H16 N4 O c1ccc(cc1)....
20 5F6M - BEN C7 H8 N2 [H]/N=C(c1....
21 1Y59 Ki = 1.19 uM TL1 C20 H22 N4 O4 c1cc(cc(c1....
22 1O39 Ki = 0.074 uM 780 C20 H16 N4 O c1ccc(cc1)....
23 1QL7 Kd = 15 uM ZEN C25 H27 Cl N4 O3 S c1cc(cc2c1....
24 2ZDM - 46U C21 H30 N4 O3 [H]/N=C(/c....
25 3NK8 - JKZ C9 H8 F3 N O C1CC2=C(C1....
26 1C2I - BAK C17 H16 N8 O c1cc2c(cc1....
27 1C2E - BAK C17 H16 N8 O c1cc2c(cc1....
28 1G3C Ki = 1.6 uM 109 FE 109 n/a n/a
29 1YP9 Ki = 7700 nM UIZ C31 H32 N4 O3 [H]/N=C(/c....
30 6B6T - BEN C7 H8 N2 [H]/N=C(c1....
31 1V2L Ki = 51 uM BEN C7 H8 N2 [H]/N=C(c1....
32 1Y3X Ki = 7315 nM UIB C26 H32 N4 O3 CC[C@@H]1[....
33 1OYQ Ki = 110 nM T87 C29 H31 N7 O3 [H]/N=C(/c....
34 6SY3 Ki = 497 uM LXW C26 H28 N4 O2 c1ccc(cc1)....
35 1XUG Ki = 0.09 uM BAB C17 H19 N8 c1cc2c(cc1....
36 3AAU Ki = 9 uM GZC CU n/a n/a
37 1C5S Ki = 1 uM ESX C9 H9 N2 S c1ccc2c(c1....
38 1V2N Ki = 1.25 uM BBA C23 H28 N4 O c1cc(ccc1C....
39 1XUH - BAO C17 H14 N8 O c1cc2c(cc1....
40 2G8T - MI2 C16 H15 N3 [H]/N=C(c1....
41 2BY8 - BAM C7 H9 N2 c1ccc(cc1)....
42 5MN1 Kd = 3.3 mM 2AP C5 H7 N2 c1cc[nH+]c....
43 1XUK Ki = 19 uM BAB C17 H19 N8 c1cc2c(cc1....
44 1V2J Ki = 566 uM BEN C7 H8 N2 [H]/N=C(c1....
45 5EG4 Ki = 21 nM 5N7 C42 H56 N10 O6 S [H]/N=C(c1....
46 6SVJ - BEN C7 H8 N2 [H]/N=C(c1....
47 1K1N Kd = 153 nM CCR C29 H39 N5 O7 S Cc1cc(c(c(....
48 1V2M Ki = 51 uM BEN C7 H8 N2 [H]/N=C(c1....
49 1C1T - BAB C17 H19 N8 c1cc2c(cc1....
50 1G3E Ki = 4.2 uM 109 C11 H15 N3 O3 C[C@@H](C(....
51 2FX6 Ki = 200 uM 270 C7 H7 N3 C1=CC2=NC(....
52 2ZQ2 Kd = 276 nM 13U C23 H35 N5 O2 [H]/N=C(/c....
53 1MTW - DX9 C26 H28 N4 O3 [H]/N=C(C)....
54 1QA0 - 270 C7 H7 N3 C1=CC2=NC(....
55 1F0T Ki = 1000 nM PR1 C19 H19 N5 O4 S2 c1cc2c(cc(....
56 1O3E Ki = 0.011 uM 696 C21 H17 N3 O c1ccc(cc1)....
57 1AZ8 - IN4 C20 H24 N4 O2 [H]/N=C(c1....
58 1Y3W Ki = 1680 nM UIP C26 H30 N4 O3 CC[C@@H]1[....
59 2BY9 - BAM C7 H9 N2 c1ccc(cc1)....
60 1QB6 Ki = 870 nM 623 C20 H18 F2 N5 O2 [H]/N=C(/c....
61 1O3N - 785 C15 H11 F3 N4 O2 c1cc2c(cc1....
62 3GY3 Kd = 2.36 uM PNT C19 H24 N4 O2 c1cc(ccc1C....
63 3NKK Kd = 20 uM JLZ C8 H9 F N2 [H]/N=C(/c....
64 3GY4 Kd = 8 uM PBZ C7 H10 N3 c1cc(ccc1C....
65 1TNL Ki = 13.3 mM TPA C9 H12 N c1ccc(cc1)....
66 1C2K - ABI C8 H9 N4 c1cc2c(cc1....
67 1V2K Ki = 0.65 uM ZEN C25 H27 Cl N4 O3 S c1cc(cc2c1....
68 1O3J Ki = 0.17 uM 334 C15 H13 Br N4 O Cc1cc(c(c(....
69 2BZA Ki = 1.58 mM ABN C7 H9 N c1ccc(cc1)....
70 2ZDK - 50U C22 H32 N4 O2 [H]/N=C(/c....
71 5MNQ Kd = 3.6 uM J3I C21 H32 N6 O2 [H]/N=C(N)....
72 1C5P Ki = 21 uM BAM C7 H9 N2 c1ccc(cc1)....
73 1K1M Kd = 40 nM FD4 C26 H29 N5 O4 S CC(=O)N1CC....
74 6B6R - BEN C7 H8 N2 [H]/N=C(c1....
75 1MTS - BX3 C27 H30 N4 O3 CC(=N)N1CC....
76 1UTO Kd = 5.32 mM PEA C8 H12 N c1ccc(cc1)....
77 3AAS Ki = 31 uM GUS C11 H14 N4 O3 [H]/N=C(N)....
78 1TNK Ki = 32.5 mM PRA C9 H13 N c1ccc(cc1)....
79 3GY7 Kd = 30 uM BEN C7 H8 N2 [H]/N=C(c1....
80 1O30 Ki = 0.17 uM 693 C24 H17 F N4 O5 c1ccc(c(c1....
81 2BY6 - BAM C7 H9 N2 c1ccc(cc1)....
82 2AGG - SIN ALA ALA PRO LYS n/a n/a
83 6T5W Ki = 47 uM J5K C20 H25 N5 O2 c1ccc(cc1)....
84 3GY5 Kd = 1.8 uM BRN C14 H15 N7 c1cc(ccc1C....
85 1S0R - BEN C7 H8 N2 [H]/N=C(c1....
86 6B6N - BEN C7 H8 N2 [H]/N=C(c1....
87 1C5Q Ki = 0.44 uM ESI C9 H8 I N2 S c1cc2c(cc(....
88 3T25 - BEN C7 H8 N2 [H]/N=C(c1....
89 1GHZ Ki = 16 uM 120 C13 H12 N5 O c1cc2c(cc1....
90 1C5U - ESP C8 H8 N3 S c1cc2cc(sc....
91 1N6X - ABN C7 H9 N c1ccc(cc1)....
92 1O2V Ki = 1.4 uM 847 C18 H13 Br N4 O5 c1cc2c(cc1....
93 1V2Q Ki = 73.62 uM ANH C20 H24 N4 O5 S Cc1ccc(cc1....
94 6SV8 - BEN C7 H8 N2 [H]/N=C(c1....
95 1TNG Ki = 1.17 mM AMC C7 H16 N C1CCC(CC1)....
96 3T26 - BEN C7 H8 N2 [H]/N=C(c1....
97 6FID - BEN C7 H8 N2 [H]/N=C(c1....
98 5MNO Kd = 143 uM MRZ C6 H13 N3 [H]/N=C(N)....
99 4YTA - BEN C7 H8 N2 [H]/N=C(c1....
100 1GI4 Ki = 0.065 uM 122 C14 H13 N4 O c1ccc(c(c1....
101 1BTY - BEN C7 H8 N2 [H]/N=C(c1....
102 1K1P - MEL C22 H31 N5 O4 c1cc(ccc1C....
103 1V2T Ki = 19.56 uM ANH C20 H24 N4 O5 S Cc1ccc(cc1....
104 1O3G Ki = 0.011 uM 696 C21 H17 N3 O c1ccc(cc1)....
105 2TIO - BEN C7 H8 N2 [H]/N=C(c1....
106 1C2D Ki = 0.0052 uM BAK C17 H16 N8 O c1cc2c(cc1....
107 1C1R Ki = 0.0235 uM BAI C16 H14 N6 c1ccc2c(c1....
108 1C2H - BAK C17 H16 N8 O c1cc2c(cc1....
109 1O36 Ki = 1.1 uM 607 C24 H19 N5 O5 c1ccc(c(c1....
110 2BY7 - BAM C7 H9 N2 c1ccc(cc1)....
111 3GY8 Kd = 1.8 uM BRN C14 H15 N7 c1cc(ccc1C....
112 5T3H - BEN C7 H8 N2 [H]/N=C(c1....
113 3ITI ic50 = 0.27 uM BRV C8 H4 Br3 N O4 c1(c(c(c(c....
114 2ZFS - 12U C22 H33 N5 O2 [H]/N=C(/c....
115 3GY6 Kd = 1.8 uM BRN C14 H15 N7 c1cc(ccc1C....
116 1O3L - 678 C17 H13 Br N3 O3 c1cc2c(cc1....
117 1BJU Ki = 6.2 uM GP6 C14 H13 Cl N4 O [H]/N=C(c1....
118 1XUJ Ki < 1 nM BOZ C17 H18 N8 O Zn c1cc2c(cc1....
119 1TX7 Ki = 25 uM 4CM C8 H11 N2 O2 P C[P@](=O)(....
120 6B6O - BEN C7 H8 N2 [H]/N=C(c1....
121 3M35 - M35 C25 H20 F4 N4 O3 S CS(=O)(=O)....
122 1MTU - BX3 C27 H30 N4 O3 CC(=N)N1CC....
123 1O32 Ki = 1.8 uM 801 C13 H11 N5 O c1cc(c(nc1....
124 3T27 - BEN C7 H8 N2 [H]/N=C(c1....
125 5LH4 - 6W4 C32 H34 N6 O2 c1ccc(cc1)....
126 1O2Q Ki = 0.021 uM 991 C20 H20 Cl N3 O2 c1cc(c(c(c....
127 1K1J Kd = 28 nM FD2 C27 H30 N4 O5 S [H]/N=C(/c....
128 5MNN - MRZ C6 H13 N3 [H]/N=C(N)....
129 1C1S - BAB C17 H19 N8 c1cc2c(cc1....
130 1QBO Ki = 18 nM 711 C27 H31 N6 O Cc1[nH]c2c....
131 1V2R Ki = 278.96 uM ANH C20 H24 N4 O5 S Cc1ccc(cc1....
132 1C5R - ESI C9 H8 I N2 S c1cc2c(cc(....
133 6SVV - BEN C7 H8 N2 [H]/N=C(c1....
134 1K1O - IGN C21 H38 N6 O4 C1CCC(CC1)....
135 2ZFT - 10U C20 H29 N5 O2 c1cc(ccc1C....
136 1TIO - BAM C7 H9 N2 c1ccc(cc1)....
137 1V2U Ki = 427 uM BEN C7 H8 N2 [H]/N=C(c1....
138 1MTV - BX3 C27 H30 N4 O3 CC(=N)N1CC....
139 1Y5B Kd = 1.26 uM TL3 C20 H22 N4 O4 c1cc(ccc1C....
140 1G36 Ki = 67 nM R11 C25 H25 N7 [H]/N=C(/c....
141 6SVZ - BEN C7 H8 N2 [H]/N=C(c1....
142 1O2L - 762 C20 H15 Cl N4 O c1ccc(cc1)....
143 1TX8 Ki = 1800 uM AM4 C8 H10 N2 O2 S CS(=O)(=O)....
144 1GI1 Ki = 3.6 uM BMZ C14 H13 N4 O c1ccc(c(c1....
145 1V2W Ki = 97.79 uM ANH C20 H24 N4 O5 S Cc1ccc(cc1....
146 6SV6 - BEN C7 H8 N2 [H]/N=C(c1....
147 1O3H Ki = 0.05 uM 907 C16 H14 Br N3 O Cc1cc(c(c(....
148 4NCY - BEN C7 H8 N2 [H]/N=C(c1....
149 1O35 - 802 C14 H11 F N4 O c1cc2c(cc1....
150 1PPC Ki = 0.69 uM MID C27 H31 N5 O4 S [H]/N=C(/c....
151 1TNI Ki = 0.1 mM PBN C10 H15 N c1ccc(cc1)....
152 6SVU - BEN C7 H8 N2 [H]/N=C(c1....
153 1V2S Ki = 68 uM BEN C7 H8 N2 [H]/N=C(c1....
154 1LQE Ki = 1507 nM IMA C34 H36 N5 O2 C[N+](C)(C....
155 1O2S Ki = 3.4 uM CR4 C14 H12 N4 O c1ccc(c(c1....
156 1O3M - 785 C15 H11 F3 N4 O2 c1cc2c(cc1....
157 6E5M - CYS THR LYS SER ILE PRO PRO GLN CYS n/a n/a
158 1O2X Ki = 1.4 uM 847 C18 H13 Br N4 O5 c1cc2c(cc1....
159 1O38 Ki = 0.15 uM 653 C22 H22 N5 O c1ccc(cc1)....
160 1G3B Ki = 1.8 uM 108 C11 H15 N3 O3 C[C@@H](C(....
161 1BJV Ki = 13 uM GP8 C20 H18 N4 O2 c1ccc(cc1)....
162 1C1P - BAI C16 H14 N6 c1ccc2c(c1....
163 1C2J - BAK C17 H16 N8 O c1cc2c(cc1....
164 1C2F - BAH C17 H18 N8 O2 c1cc2c(cc1....
165 3LJJ Kd = 300 nM 10U C20 H29 N5 O2 c1cc(ccc1C....
166 1O3I Ki = 0.05 uM 907 C16 H14 Br N3 O Cc1cc(c(c(....
167 1Y3V Ki = 2300 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
168 1UTP Kd = 36 mM PBN C10 H15 N c1ccc(cc1)....
169 2BLV - BEN C7 H8 N2 [H]/N=C(c1....
170 6SVG - BEN C7 H8 N2 [H]/N=C(c1....
171 1TNJ Ki = 11 mM PEA C8 H12 N c1ccc(cc1)....
172 3GY2 Kd = 1.8 uM BRN C14 H15 N7 c1cc(ccc1C....
173 6T0M Ki = 39 uM GOZ C20 H26 N6 O2 c1ccc(cc1)....
174 6B6S - BEN C7 H8 N2 [H]/N=C(c1....
175 1O2P - 972 C18 H19 Cl N4 O2 CC(C)COc1c....
176 1K1I Kd = 264 nM FD1 C26 H28 N4 O5 S [H]/N=C(c1....
177 1GJ6 Ki = 0.23 uM 132 C21 H17 Cl N3 O c1ccc(cc1)....
178 3LJO Kd = 239 nM 11U C21 H31 N5 O2 [H]/N=C(/c....
179 1O2Y Ki = 1.4 uM 847 C18 H13 Br N4 O5 c1cc2c(cc1....
180 6SVN - BEN C7 H8 N2 [H]/N=C(c1....
181 1O31 Ki = 1.8 uM 801 C13 H11 N5 O c1cc(c(nc1....
182 2BY5 - BAM C7 H9 N2 c1ccc(cc1)....
183 1XUI - BAO C17 H14 N8 O c1cc2c(cc1....
184 1C5T Ki = 80 uM ESP C8 H8 N3 S c1cc2cc(sc....
185 1EB2 Ki = 16 nM BPO C28 H28 N4 O3 [H]/N=C(c1....
186 6SVB - BEN C7 H8 N2 [H]/N=C(c1....
187 1O2K Ki = 0.12 uM 656 C18 H20 N4 O2 CC(C)COc1c....
188 5LGO - 6VZ C27 H36 N6 O4 CNC(=O)[C@....
189 1GI0 - BMZ C14 H13 N4 O c1ccc(c(c1....
190 1V2P Ki = 18.45 uM ANH C20 H24 N4 O5 S Cc1ccc(cc1....
191 1TPS ic50 = 10 nM OSL DLE THR ARG GLU LEU YNM VAL n/a n/a
192 1N6Y - ABN C7 H9 N c1ccc(cc1)....
193 1O34 Ki = 1.8 uM 801 C13 H11 N5 O c1cc(c(nc1....
194 6SUX - BEN C7 H8 N2 [H]/N=C(c1....
195 2ZDL - 45U C20 H28 N4 O3 [H]/N=C(/c....
196 1PPH Ki = 1.2 uM 0ZG C22 H28 N4 O3 S [H]/N=C(/c....
197 2G5N - 23M C16 H15 N3 [H]/N=C(c1....
198 1G3D Ki = 2.8 uM 108 C11 H15 N3 O3 C[C@@H](C(....
199 5MOO Kd = 48.5 mM WOT C6 H8 N c1ccc(cc1)....
200 1O2U Ki = 1.4 uM 847 C18 H13 Br N4 O5 c1cc2c(cc1....
201 1O2R - CR9 C21 H23 F N4 O2 C[C@H]1CCC....
202 3QK1 - BEN C7 H8 N2 [H]/N=C(c1....
203 6SVX - BEN C7 H8 N2 [H]/N=C(c1....
204 5MNH Kd = 20.7 uM BAM C7 H9 N2 c1ccc(cc1)....
205 6B6P - BEN C7 H8 N2 [H]/N=C(c1....
206 3T29 - BEN C7 H8 N2 [H]/N=C(c1....
207 6EAT - CYS THR LYS SER ILE PRO PRO GLN CYS n/a n/a
208 1O2H Ki = 0.068 uM CR3 C20 H21 N3 O2 c1cc(c(c(c....
209 1QB9 Ki = 36 nM 806 C31 H31 N5 O [H]/N=C(/C....
210 2BLW - BEN C7 H8 N2 [H]/N=C(c1....
211 1O3B Ki = 0.074 uM 780 C20 H16 N4 O c1ccc(cc1)....
212 1O2Z Ki = 0.78 uM 312 C25 H20 N4 O6 COc1ccccc1....
213 1K1L Kd = 125 nM FD3 C24 H27 N5 O3 S [H]/N=C(/c....
214 1O2O Ki = 0.44 uM 950 C18 H19 F N4 O2 CC(C)COc1c....
215 1C1Q - BAI C16 H14 N6 c1ccc2c(c1....
216 1F0U Ki = 69 nM RPR C27 H30 N4 O3 C[C@H]([C@....
217 1C2G - BAH C17 H18 N8 O2 c1cc2c(cc1....
218 1O37 Ki = 0.15 uM 653 C22 H22 N5 O c1ccc(cc1)....
219 1O3F Ki = 0.011 uM 696 C21 H17 N3 O c1ccc(cc1)....
220 1JIR - AML C5 H13 N CCCCCN
221 1O2N Ki = 0.81 uM 762 C20 H15 Cl N4 O c1ccc(cc1)....
222 1O3O - 785 C15 H11 F3 N4 O2 c1cc2c(cc1....
223 1CE5 Ki = 18.4 uM BEN C7 H8 N2 [H]/N=C(c1....
224 5MNB Kd = 3.3 mM 2AP C5 H7 N2 c1cc[nH+]c....
225 6DZF - BEN C7 H8 N2 [H]/N=C(c1....
226 5LH8 - 6WH C31 H38 N6 O3 COc1cc(ccc....
227 2ZHD - 12U C22 H33 N5 O2 [H]/N=C(/c....
228 1O2J Ki = 0.12 uM 656 C18 H20 N4 O2 CC(C)COc1c....
229 1AQ7 ic50 = 0.9 uM 34H DIL XPR AG2 n/a n/a
230 1O3K Ki = 0.17 uM 334 C15 H13 Br N4 O Cc1cc(c(c(....
231 2G5V - 22M C16 H15 N3 [H]/N=C(c1....
232 1Y5U Kd = 0.22 uM TL4 C20 H22 N4 O4 c1cc(cc(c1....
233 6SVI - BEN C7 H8 N2 [H]/N=C(c1....
234 1J8A - BEN C7 H8 N2 [H]/N=C(c1....
235 6B6Q - BEN C7 H8 N2 [H]/N=C(c1....
236 1QB1 Ki = 170 nM 974 C28 H27 F2 N6 O5 Cn1ccnc1c2....
237 1O2W Ki = 1.4 uM 847 C18 H13 Br N4 O5 c1cc2c(cc1....
238 1XUF Ki = 0.09 uM BAZ C17 H16 N8 Zn [H]/N=C(c1....
239 1QBN Ki = 1400 nM 688 C22 H17 N5 O5 c1cc(cc(c1....
240 1O33 Ki = 1.8 uM 801 C13 H11 N5 O c1cc(c(nc1....
241 1V2O Ki = 18.45 uM ANH C20 H24 N4 O5 S Cc1ccc(cc1....
242 1C1N - BAM C7 H9 N2 c1ccc(cc1)....
243 1UTN Kd = 0.321 mM ABN C7 H9 N c1ccc(cc1)....
244 6SVD - BEN C7 H8 N2 [H]/N=C(c1....
245 6T0P Ki = 62 uM M6Q C20 H25 N5 O2 c1ccc(cc1)....
246 6SVW - BEN C7 H8 N2 [H]/N=C(c1....
247 4NA8 Ki = 1.5 nM 1T6 C31 H28 N4 O3 [H]/N=C(/c....
248 5WB6 Ki = 0.02 nM 9ZM C31 H26 Cl F N10 O4 COC(=O)Nc1....
249 5Q0H Ki = 12 nM 9F1 C27 H26 Cl F2 N5 O4 Cc1cc(c(c(....
250 5TKT Ki = 3.2 nM 7DS C28 H26 Cl N9 O4 COC(=O)Nc1....
251 4CRG - J4X C22 H18 N6 O [H]/N=C(c1....
252 5EXL Ki = 3.7 nM 5SS C28 H31 N5 O2 c1ccc(cc1)....
253 6TS5 ic50 = 0.003 uM NW2 C27 H29 N O5 CC(C)c1cc(....
254 6VLU Ki = 149.1 nM R2Y C27 H37 F2 N5 O2 CC(C)C[C@H....
255 5E2O Ki = 2 nM 5JM C26 H21 Cl N6 O4 c1ccc(cc1)....
256 4CRB Ki = 0.027 uM 7P0 C28 H24 Cl N7 O4 c1ccc(cc1)....
257 6TS6 ic50 = 0.004 uM NW5 C27 H26 N2 O4 CC(C)(C#N)....
258 5TKS Ki = 68 nM 7DL C29 H30 Cl2 N8 O3 COC(=O)Nc1....
259 5QTY Ki = 2.5 nM QLJ C32 H33 Cl N8 O5 CCOC(=O)[C....
260 5Q0E Ki = 0.69 nM 9FD C29 H30 Cl N9 O4 C[C@H]1CCC....
261 4CRE - MVN C10 H8 Cl N O CC1=CC(=O)....
262 4CRA Ki = 0.06 uM XJ8 C29 H25 N5 O4 c1ccc(cc1)....
263 1ZHR - BEN C7 H8 N2 [H]/N=C(c1....
264 5E2P Ki = 1.6 nM 7P0 C28 H24 Cl N7 O4 c1ccc(cc1)....
265 3BG8 - BEN C7 H8 N2 [H]/N=C(c1....
266 4X6P Ki = 5 nM 3YU C28 H23 Cl N10 O c1ccc(cc1)....
267 5Q0D Ki = 1 nM 9EY C27 H26 Cl N9 O4 COC(=O)Nc1....
268 4X6O Ki = 1.9 nM 3Y4 C29 H26 Cl2 N8 O3 COC(=O)Nc1....
269 5EXN Ki = 23 nM 5SU C31 H26 Cl N7 O3 COC(=O)Nc1....
270 4CR9 Ki = 80 uM OTW C10 H11 N3 Cc1cc(nc2c....
271 6TS4 ic50 = 2.8 uM J7B C22 H20 N2 O3 c1ccc(c(c1....
272 6USY Ki = 0.0004 uM QGS C28 H28 N2 O4 CC(C)c1cc(....
273 4CRC Ki = 0.0019 uM OTM C26 H21 Cl N10 O2 c1ccc(cc1)....
274 5QCL Ki = 11 nM BUY C27 H21 Cl N6 O4 c1ccc2c(c1....
275 1ZHM - BEN C7 H8 N2 [H]/N=C(c1....
276 5EXM Ki = 6.3 nM 5ST C29 H34 N4 O3 COC(=O)Nc1....
277 4TY7 Ki = 0.3 nM 39F C26 H30 Cl N7 O c1ccc(cc1)....
278 5QTT Ki = 3.4 nM QEY C30 H29 Cl F N7 O4 C[C@@H]1CC....
279 6W50 Ki = 0.3 nM SWP C31 H29 Cl F2 N4 O4 C[C@@H]1CC....
280 5QQP Ki = 5.3 nM NR7 C29 H30 Cl N5 O4 COC(=O)Nc1....
281 6C0S Ki = 89 nM EEJ C31 H31 Cl2 N9 O4 CC(=O)N1CC....
282 4CRF Ki = 0.0005 uM R9B C29 H23 Cl N4 O5 c1ccc(cc1)....
283 5QCN Ki = 6 nM BVM C36 H34 Cl N7 O7 CCOC(=O)[C....
284 6VLV Ki = 5.33 nM R3A C19 H25 Cl N6 O4 S [H]/N=C(/N....
285 5QTV Ki = 1.1 nM QLS C28 H27 Cl F3 N9 O3 COC(=O)Nc1....
286 4X6M Ki = 5.8 nM 3Y3 C27 H26 Cl2 N8 O c1ccc(cc1)....
287 5QTW Ki = 0.46 nM QLM C29 H30 Cl N9 O5 COC(=O)[C@....
288 4CR5 Ki = 70 uM 0TU C9 H6 Cl N O c1cc2c(cc1....
289 4CRD Ki = 0.08 uM OTJ C22 H22 Cl2 N8 O3 COC(=O)Nc1....
290 5QCM Ki = 110 nM BVJ C28 H23 Cl F N7 O4 COC(=O)Nc1....
291 5NB6 ic50 = 0.5 uM 8S2 C22 H21 F3 N6 O4 c1ccc2c(c1....
292 6FTY - E7H C20 H24 N4 O2 c1cc2c(cc(....
293 6QMR ic50 = 0.012 uM J6T C23 H23 N O4 c1ccc(c(c1....
294 5NAW ic50 = 0.05 uM 8RZ C23 H20 F3 N5 O4 c1ccc2c(c1....
295 5MT0 Kd ~ 500 uM QJS C19 H15 F N2 O3 c1ccc(cc1)....
296 6FUG Kd = 50 uM E85 C18 H17 N7 O c1cc(cc(c1....
297 5NAR ic50 = 0.5 uM 8RW C22 H20 F3 N5 O4 c1ccc2c(c1....
298 5FBE ic50 = 14 uM 5W5 C22 H22 F3 N3 O5 COC(=O)c1c....
299 6FUH Kd = 170 uM E88 C20 H23 N5 O2 CC(C)[C@@H....
300 5FBI Kd = 1600 uM 5WD C17 H14 N2 O4 c1cc(cc(c1....
301 6QMT ic50 = 0.12 uM J7B C22 H20 N2 O3 c1ccc(c(c1....
302 6FUT Kd = 20 uM E82 C24 H24 N2 O c1ccc2c(c1....
303 6FUJ ic50 = 120 uM E8B C18 H22 N2 O CC(C)CC(=O....
304 5FCK Kd = 0.006 uM 5WC C23 H22 Cl F N6 O3 C[C@H](c1c....
305 5NB7 ic50 = 0.006 uM 8NQ C21 H19 Br N6 O3 c1ccc2c(c1....
306 5MT4 Kd ~ 500 uM M7O C15 H14 N2 O3 c1ccc(cc1)....
307 5NBA ic50 = 0.05 uM 8S5 C22 H19 F4 N5 O4 c1ccc2c(c1....
308 6FUI Kd = 35 uM E7W C22 H25 N5 O2 c1ccc2c(c1....
309 6FTZ Kd = 1000 uM E7E C17 H16 N4 O2 c1cc(cc(c1....
310 6A8N Ki = 6.8 nM CYS PRO ALA TYR SER ARG TYR ILE GLY CYS n/a n/a
311 1ELC - 0Z3 C26 H34 F3 N4 O3 CC(C)c1ccc....
312 1ELD Ki = 0.2 uM 0Z0 C21 H19 F6 N3 O3 NULL
313 7EST - 0Z2 C18 H21 F6 N3 O3 CC(C)C[C@@....
314 2BD4 - LYS TYR PRO PHE VAL GLU PRO ILE n/a n/a
315 1ELB Ki = 70 nM 0Z4 C23 H36 F3 N4 O3 CC(C)C[C@@....
316 6TH7 ic50 = 1.18 nM O4Q 5XU ABA ILE ABA VAL N9K PHA AA4 n/a n/a
317 1ELE Ki = 0.14 uM 0QN C17 H19 F6 N3 O3 NULL
318 4GVU ic50 = 30 nM 6NA GLN THR DBU GLJ PHE YNM VAL n/a n/a
319 1NES - ACE ALA PRO ALA n/a n/a
320 2BDB - ALA ALA n/a n/a
321 1BMA Ki = 26 uM 0QH C27 H36 F3 N4 O3 NULL
322 2EST - 2Z5 C18 H23 F6 N4 O3 NULL
323 1ELA Ki = 0.44 uM 0Z1 C22 H32 F3 N4 O3 CC(C)c1ccc....
324 1QR3 ic50 = 0.26 uM ALQ CIR THR DBU GLJ PHE TYJ VAL n/a n/a
325 1BIT - BEN C7 H8 N2 [H]/N=C(c1....
326 1HJ8 - BAM C7 H9 N2 c1ccc(cc1)....
327 1UTL Ka = 293 M^-1 PRA C9 H13 N c1ccc(cc1)....
328 2TBS - BEN C7 H8 N2 [H]/N=C(c1....
329 2ZPQ - BEN C7 H8 N2 [H]/N=C(c1....
330 1UTJ Kd = 0.144 mM ABN C7 H9 N c1ccc(cc1)....
331 1UTM Ka = 243 M^-1 PEA C8 H12 N c1ccc(cc1)....
332 1MBQ - BEN C7 H8 N2 [H]/N=C(c1....
333 2ZPS - BEN C7 H8 N2 [H]/N=C(c1....
334 2ZPR - BEN C7 H8 N2 [H]/N=C(c1....
335 1L2E - BEN C7 H8 N2 [H]/N=C(c1....
336 3VFE - 0HL C26 H26 N4 O4 S3 [H]/N=C(c1....
337 6QH9 - J3B C13 H16 N4 O2 [H]/N=C(/c....
338 6QFH ic50 = 1.38 uM J08 C23 H22 N6 O [H]/N=C(/c....
339 6QHB - J2W C15 H15 N3 O3 [H]/N=C(/c....
340 6SKC - BEN C7 H8 N2 [H]/N=C(c1....
341 1LO6 - BEN C7 H8 N2 [H]/N=C(c1....
342 6QFF ic50 = 2.04 uM J08 C23 H22 N6 O [H]/N=C(/c....
343 6QHC - 135 C14 H13 N3 O2 [H]/N=C(c1....
344 4D8N ic50 = 1.8 uM 0HM C24 H24 N5 O2 c1ccc(cc1)....
345 6QFG ic50 = 3.01 uM J08 C23 H22 N6 O [H]/N=C(/c....
346 6QHA - J2Q C16 H17 N3 O3 [H]/N=C(/c....
347 3P8G - BEN C7 H8 N2 [H]/N=C(c1....
348 1EAX - BEN C7 H8 N2 [H]/N=C(c1....
349 2GV6 Ki = 0.046 uM 730 C28 H35 N7 O3 S [H]/N=C(c1....
350 4R0I Ki = 0.3 uM 3KM C27 H33 N5 O4 S [H]/N=C(c1....
351 4O97 Ki = 3 nM NTX C29 H34 N6 O3 [H]/N=C(N)....
352 2GV7 Ki = 0.014 uM 672 C36 H54 N8 O4 S [H]/N=C(c1....
353 4O9V Ki = 10 nM NT4 C27 H30 N6 O3 [H]/N=C(N)....
354 1IAU Ki = 80 nM ACE ILE GLU PRO ASJ n/a n/a
355 1ANE - BEN C7 H8 N2 [H]/N=C(c1....
356 1J16 Ki = 143 uM BEN C7 H8 N2 [H]/N=C(c1....
357 1J14 Ki = 32.2 uM BEN C7 H8 N2 [H]/N=C(c1....
358 1BRA Ki = 15000 uM BEN C7 H8 N2 [H]/N=C(c1....
359 1J15 Ki = 143 uM BEN C7 H8 N2 [H]/N=C(c1....
360 1TRM - BEN C7 H8 N2 [H]/N=C(c1....
361 1J17 Ki = 6.05 uM ZEN C25 H27 Cl N4 O3 S c1cc(cc2c1....
362 1ANC - BEN C7 H8 N2 [H]/N=C(c1....
363 1QL9 Ki = 4.45 uM ZEN C25 H27 Cl N4 O3 S c1cc(cc2c1....
364 1DPO - BEN C7 H8 N2 [H]/N=C(c1....
365 1AND - BEN C7 H8 N2 [H]/N=C(c1....
366 1W0Z Ki = 21 nM SI1 C18 H29 N5 O5 S [H]/N=C(c1....
367 4ZHL Kd = 0.0147 uM CYS PRO ALA TYR SER ARG TYR ILE GLY CYS n/a n/a
368 2VIV ic50 = 520 nM VG2 C22 H28 Cl N3 O2 Cc1cc(cc(c....
369 1SC8 Ki = 0.036 uM 2IN C20 H25 N5 O5 S c1ccc(cc1)....
370 1OWE Ki = 0.631 uM 675 C18 H15 N3 O [H]/N=C(/c....
371 4X1Q - CYS PRO ALA TYR SER ARG TYR LEU ASP CYS n/a n/a
372 2VIP ic50 = 5.2 uM L1R C18 H20 Cl2 N2 O3 CC(C)Oc1cc....
373 5ZAF Ki = 166 nM 28I C16 H21 N7 O2 [H]/N=C(N)....
374 1SQT Ki = 0.63 uM UI3 C16 H16 N4 O3 S [H]/N=C(/c....
375 1W13 Ki = 2 nM SM1 C21 H28 N6 O5 S [H]/N=C(/N....
376 1OWH Ki = 40 nM 239 C19 H18 N4 O [H]/N=C(/c....
377 1EJN Ki = 2.4 uM AGB C19 H27 N5 O [H]/N=C(/N....
378 4ZHM Kd = 0.00081 uM MRZ CYS PRO ALA TYR SER ALA TYR ILE GLY CYS n/a n/a
379 2VIN ic50 > 1 mM 505 C11 H17 N O Cc1cccc(c1....
380 5ZA8 Ki = 508 nM 27I C16 H23 N9 O [H]/N=C(/N....
381 5ZA7 Ki = 1356 nM HMX C12 H18 Cl N7 O C1CCCN(CC1....
382 4X0W - MRZ CYS PRO ALA TYR SER DAL TYR LEU ASP CYS n/a n/a
383 1U6Q - 745 C20 H18 N2 [H]/N=C(/c....
384 5ZA9 Ki = 183 nM 50I C20 H23 N7 O2 [H]/N=C(/N....
385 2VIQ ic50 = 1.3 uM D55 C21 H28 N2 O4 CCOc1ccc(c....
386 4X1P - CYS PRO ALA TYR SER DAL TYR LEU ASP CYS MRZ n/a n/a
387 6NMB Ki = 2.01 mM AMH C8 H15 N O2 C1CC(CCC1C....
388 5ZAG Ki = 108 nM 94I C16 H21 N9 O [H]/N=C(N)....
389 5ZC5 Ki = 88 nM 09I C20 H22 F N7 O2 [H]/N=C(/N....
390 1VJ9 Ki = 0.028 uM 5IN C28 H33 N5 O6 S c1ccc(cc1)....
391 1F5K Ki = 180 uM BAM C7 H9 N2 c1ccc(cc1)....
392 5ZAE Ki = 156 nM EAU C16 H21 N7 O2 [H]/N=C(/N....
393 1OWD Ki = 6.3 nM 497 C23 H24 N4 O CC[C@H]1CN....
394 2VNT Ki = 9.9 nM QGG C15 H16 Cl N5 O4 S c1cc2c(cc1....
395 2VIO ic50 = 40 uM L1O C9 H9 Cl2 N O3 c1c(cc(c(c....
396 1F5L Ki = 5.3 uM AMR C6 H8 Cl N7 O c1(c(nc(c(....
397 5ZAJ Ki = 42 nM 32I C18 H25 N9 O3 [H]/N=C(/N....
398 2R2W Ki = 34 uM 4PG C15 H15 N3 O [H]/N=C(/N....
399 2VIW ic50 = 72 nM D56 C24 H32 Cl N3 O3 CCOc1c(cc(....
400 1W11 Ki = 6 nM SK1 C21 H27 N5 O5 S [H]/N=C(c1....
401 1SQA Ki = 0.00062 uM UI1 C23 H21 N7 O c1cnc(nc1)....
402 1VJA Ki = 0.02 uM 7IN C21 H27 N5 O6 S c1ccc(cc1)....
403 1SQO Ki = 0.035 uM UI2 C15 H13 N5 c1cc2ccc(c....
404 1GDN - GLY ALA LYS n/a n/a
405 1FY5 - GLY ALA LYS n/a n/a
406 1FY4 - GLY ALA ARG n/a n/a
407 1PQ8 - GLY GLY ARG n/a n/a
408 1FN8 - GLY ALA ARG n/a n/a
409 1PQ7 - ARG C6 H15 N4 O2 C(C[C@@H](....
410 1PQ5 - ARG C6 H15 N4 O2 C(C[C@@H](....
411 1H4W Ki = 22 uM BEN C7 H8 N2 [H]/N=C(c1....
412 5TP0 Ki = 3.66 uM BRN C14 H15 N7 c1cc(ccc1C....
413 1T32 Ki = 38 nM OHH C40 H35 N2 O6 P CN(C1CCN(C....
414 4K60 ic50 = 570 uM 1P8 C8 H6 Br N O c1cc2c(cc1....
415 1T31 Ki = 2.3 nM OHH C40 H35 N2 O6 P CN(C1CCN(C....
416 4K5Z - 1P7 C8 H6 Cl N O c1cc2c(cc1....
417 3N7O Ki = 72 nM N7O C19 H15 Cl F2 N O3 P S C[P@@](=O)....
418 3S0N ic50 = 180 nM 0BB C21 H20 N2 O3 S Cc1cccc2c1....
419 5YJM Kd = 0.000000064 M 8W3 C30 H32 Cl N5 O6 CC[C@H](c1....
420 4K2Y ic50 = 470 uM ES2 C8 H6 Cl N O c1cc2c(cc1....
421 5YJP ic50 = 0.24 uM 8W6 C26 H31 Cl N4 O6 CC[C@H](c1....
422 4K69 ic50 = 0.04 uM 1P9 C22 H22 Br N3 O4 CCC[C@@H](....
423 1OSS Ki = 16.4 uM BEN C7 H8 N2 [H]/N=C(c1....
424 3BEU - BEN C7 H8 N2 [H]/N=C(c1....
425 5XWL - ACE THR ARG GLU n/a n/a
426 5XWJ - ACE THR ARG GLU n/a n/a
427 1V6D - PRO ASP AIB LEU AIB LEU ALA TBF NME n/a n/a
428 1YF4 Ki = 5 nM CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 n/a n/a
429 1S6H - 4BZ C8 H10 N2 O [H]/N=C(c1....
430 1S83 - 4HA C4 H12 N O C(CCO)C[NH....
431 1S5S - PG3 C4 H12 N3 O C(CNC(=[NH....
432 5A09 ic50 = 3.5 nM JJD C23 H18 F3 N3 O4 CC1=C([C@H....
433 5A8X ic50 = 6.5 nM IUY C24 H20 F3 N4 O2 CCOC(=O)C1....
434 5ABW ic50 = 17 nM WQQ C26 H24 Cl N3 O5 S Cc1c(c(on1....
435 5A8Y ic50 = 0.17 nM VBM C23 H16 F3 N7 O2 CC1=C([C@H....
436 5A0B ic50 = 5 nM JJX C29 H29 F3 N6 O2 CC1=C([C@H....
437 5A8Z ic50 = 28 nM IUL C21 H16 F3 N5 O2 CN1CC2=C([....
438 3Q77 ic50 = 6 nM 2HY C22 H18 F3 N3 O4 CC1=C([C@H....
439 5A0C ic50 = 0.54 nM JJV C21 H15 F3 N4 O3 S CC1=C([C@H....
440 5A0A Ki = 15 nM JJS C20 H15 F3 N4 O2 CC1=C([C@H....
441 2AIQ - BEN C7 H8 N2 [H]/N=C(c1....
442 2OQ5 - BEN C7 H8 N2 [H]/N=C(c1....
443 5F03 - 5TA C24 H20 Cl N3 O3 c1cc(cc(c1....
444 2ZA5 Ki = 3.7 nM 2FF C26 H24 N2 O3 c1ccc(cc1)....
445 2FPZ Ki = 110 uM 270 C7 H7 N3 C1=CC2=NC(....
446 2BM2 Ki = 15 nM PM2 C26 H29 N3 O c1ccc(cc1)....
447 3V7T Ki = 62 nM 0GX C23 H28 Br F N2 O2 S CCCOc1c(c(....
448 2ZEB - 11M C23 H24 N2 O2 S2 CSc1c2cccc....
449 4A6L Ki = 10 nM P43 C25 H23 F N2 O2 c1ccc(c(c1....
450 2ZEC - 11N C22 H24 N2 O2 c1ccc(cc1)....
451 4NFE - BEN C7 H8 N2 [H]/N=C(c1....
452 2ANW - BAM C7 H9 N2 c1ccc(cc1)....
453 2ANY - BAM C7 H9 N2 c1ccc(cc1)....
454 5TJX - GBT C29 H33 N7 O3 Cc1c2c(cc(....
455 6O1S - 7SD C23 H25 N7 O Cc1cc(nc(c....
456 6T7P Ki = 0.97 uM MU8 C26 H24 Cl N3 O3 c1ccc(cc1)....
457 6QFE ic50 = 0.08 uM J08 C23 H22 N6 O [H]/N=C(/c....
458 6B74 - BEN C7 H8 N2 [H]/N=C(c1....
459 1A0J - BEN C7 H8 N2 [H]/N=C(c1....
460 2ZGJ - SER SER GLY LYS VAL PRO LEU SER n/a n/a
461 2ZGH - SER SER GLY LYS VAL PRO LEU n/a n/a
462 2BDG - PBZ C7 H10 N3 c1cc(ccc1C....
463 5Y9L ic50 = 1.9 uM 8R3 C24 H28 Cl N5 O5 CN(C)/N=C1....
464 5YJK ic50 = 0.82 uM 8VX C24 H30 Cl N5 O5 S CN(C)/N=C1....
465 5FAH ic50 = 0.7 uM 5VT C26 H29 N3 O3 COc1ccc(cc....
466 3TJV - PRO THR SER TYR ALA GLY ASP ASP SER GLY n/a n/a
467 6AHS ic50 = 1.5 uM 9YO C19 H18 Cl N3 O2 S Cc1ccc2c(c....
468 5ZFI ic50 = 1.2 uM 9C9 C26 H29 Cl2 N7 O2 Cn1cc(cn1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AMR; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AMR 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: AMR; Similar ligands found: 1123
No: Ligand Similarity coefficient
1 7MX 0.9720
2 F52 0.9638
3 SBK 0.9502
4 LL1 0.9481
5 M78 0.9445
6 H4E 0.9440
7 I2E 0.9439
8 DHC 0.9435
9 TCR 0.9427
10 5E5 0.9415
11 30G 0.9399
12 G6P 0.9389
13 VM1 0.9384
14 D8Q 0.9382
15 YE7 0.9381
16 DAH 0.9379
17 V1T 0.9373
18 2GQ 0.9368
19 IOP 0.9367
20 ALE 0.9365
21 5V7 0.9364
22 5TZ 0.9351
23 61M 0.9345
24 5OO 0.9345
25 EYY 0.9334
26 PIQ 0.9334
27 6HP 0.9333
28 EWG 0.9333
29 M5H 0.9332
30 363 0.9330
31 ETV 0.9327
32 1A7 0.9326
33 LEL 0.9325
34 9BF 0.9318
35 5F5 0.9317
36 DXK 0.9310
37 KF5 0.9309
38 CFA 0.9308
39 BG6 0.9297
40 BIK 0.9297
41 EGR 0.9296
42 GJK 0.9294
43 FER 0.9291
44 89J 0.9285
45 KYA 0.9285
46 GO2 0.9285
47 FC2 0.9284
48 F40 0.9281
49 3EB 0.9277
50 6KT 0.9275
51 9UL 0.9274
52 92G 0.9274
53 6ZX 0.9274
54 3VX 0.9270
55 5F8 0.9263
56 0FK 0.9256
57 CXH 0.9247
58 IYR 0.9247
59 C0W 0.9244
60 N91 0.9244
61 4R1 0.9242
62 CWD 0.9242
63 2K8 0.9240
64 L22 0.9238
65 1QP 0.9237
66 N7I 0.9236
67 FF2 0.9233
68 4Z9 0.9228
69 5TY 0.9228
70 AVA 0.9227
71 X48 0.9226
72 BWD 0.9225
73 ZME 0.9224
74 3TC 0.9224
75 FWD 0.9224
76 9FE 0.9222
77 FCD 0.9221
78 3IL 0.9217
79 5FL 0.9212
80 MP5 0.9209
81 4FE 0.9208
82 52F 0.9207
83 ESI 0.9207
84 IWD 0.9206
85 HA5 0.9203
86 4KL 0.9202
87 N1E 0.9196
88 D1Y 0.9196
89 HBI 0.9196
90 E1T 0.9188
91 54X 0.9186
92 5NN 0.9185
93 28A 0.9181
94 4I8 0.9181
95 1AJ 0.9180
96 RKV 0.9179
97 ITW 0.9178
98 CKA 0.9177
99 8HC 0.9177
100 R9G 0.9175
101 DTR 0.9174
102 KTW 0.9174
103 7L4 0.9173
104 BB4 0.9173
105 SRO 0.9173
106 GB4 0.9172
107 JTA 0.9171
108 ENG 0.9171
109 78Y 0.9170
110 4AU 0.9170
111 GNV 0.9169
112 67Y 0.9169
113 BIO 0.9168
114 0JD 0.9167
115 QMS 0.9165
116 DRG 0.9165
117 MIL 0.9164
118 MPP 0.9162
119 ANC 0.9162
120 2UD 0.9158
121 68A 0.9156
122 7ZL 0.9156
123 5WT 0.9156
124 JXK 0.9152
125 MMS 0.9152
126 OX2 0.9151
127 EYJ 0.9151
128 MD6 0.9151
129 CIY 0.9151
130 HBO 0.9149
131 DHY 0.9149
132 2JK 0.9148
133 1XS 0.9147
134 QBM 0.9147
135 GI1 0.9146
136 S7G 0.9146
137 B56 0.9144
138 S0G 0.9142
139 SYE 0.9141
140 CHQ 0.9136
141 VXX 0.9135
142 1V3 0.9134
143 5B2 0.9133
144 P81 0.9133
145 AWE 0.9133
146 KP2 0.9131
147 7I2 0.9131
148 15N 0.9131
149 B41 0.9130
150 II4 0.9129
151 H4B 0.9129
152 0DF 0.9125
153 JP2 0.9124
154 8G6 0.9123
155 CK2 0.9122
156 TRP 0.9120
157 C9M 0.9118
158 LNR 0.9117
159 9R5 0.9115
160 N0Z 0.9114
161 HC4 0.9112
162 2QU 0.9111
163 A7H 0.9111
164 22L 0.9109
165 NFM 0.9109
166 78U 0.9109
167 3VQ 0.9108
168 PYU 0.9107
169 PLP 0.9107
170 JBZ 0.9106
171 OA1 0.9105
172 M6Z 0.9105
173 BP7 0.9104
174 NAL 0.9104
175 C9E 0.9103
176 2HC 0.9102
177 TSS 0.9102
178 SLS 0.9101
179 X04 0.9101
180 4FF 0.9101
181 H7S 0.9099
182 IQQ 0.9098
183 Q0K 0.9097
184 5VU 0.9096
185 C82 0.9096
186 EQA 0.9095
187 5O6 0.9094
188 N8Y 0.9094
189 ZZA 0.9093
190 6HO 0.9092
191 0UL 0.9091
192 2LT 0.9089
193 4BL 0.9089
194 U7E 0.9089
195 K25 0.9088
196 H2B 0.9086
197 TMG 0.9086
198 6QF 0.9085
199 PZ8 0.9084
200 EYV 0.9083
201 THM 0.9083
202 4Z3 0.9083
203 3J8 0.9082
204 DK1 0.9081
205 0F9 0.9080
206 3C4 0.9079
207 JF2 0.9078
208 28S 0.9078
209 IOS 0.9078
210 4V2 0.9076
211 NAG 0.9076
212 HHS 0.9076
213 9ZE 0.9075
214 5C1 0.9075
215 QIV 0.9075
216 5WN 0.9074
217 KCH 0.9074
218 CR1 0.9074
219 4Z1 0.9074
220 M3Q 0.9073
221 3GX 0.9073
222 GZV 0.9073
223 F5C 0.9073
224 RVE 0.9072
225 P4L 0.9072
226 CH9 0.9071
227 B21 0.9070
228 MS9 0.9068
229 1FE 0.9067
230 C4E 0.9067
231 2FX 0.9067
232 MNP 0.9066
233 NIY 0.9065
234 IAC 0.9065
235 ONR 0.9064
236 Y3L 0.9064
237 NPL 0.9063
238 28N 0.9062
239 K68 0.9061
240 4AB 0.9060
241 36M 0.9060
242 ZSP 0.9060
243 L5D 0.9059
244 BQ2 0.9059
245 EV2 0.9059
246 2JX 0.9057
247 JCZ 0.9057
248 3VW 0.9056
249 S8D 0.9055
250 IQ5 0.9054
251 4BY 0.9052
252 AC2 0.9051
253 ZHA 0.9051
254 B5A 0.9051
255 A6W 0.9051
256 ET0 0.9050
257 JYK 0.9050
258 3SU 0.9050
259 LTN 0.9049
260 KWB 0.9049
261 AJ1 0.9049
262 GI3 0.9048
263 ZYR 0.9048
264 HA6 0.9047
265 XI7 0.9045
266 MXD 0.9043
267 8XL 0.9043
268 EUH 0.9042
269 1V4 0.9042
270 GZ2 0.9042
271 8NB 0.9041
272 657 0.9041
273 THA 0.9041
274 0QW 0.9041
275 0LO 0.9040
276 6J9 0.9039
277 774 0.9037
278 PLR 0.9037
279 BZJ 0.9037
280 LFQ 0.9037
281 XEN 0.9036
282 92P 0.9036
283 A5H 0.9033
284 1X8 0.9033
285 8NX 0.9032
286 96Z 0.9032
287 FTV 0.9031
288 CSN 0.9029
289 833 0.9029
290 B2E 0.9028
291 XCG 0.9028
292 S7D 0.9027
293 JPQ 0.9027
294 ITE 0.9026
295 EN1 0.9025
296 G14 0.9025
297 5AD 0.9025
298 TU0 0.9024
299 3Y7 0.9022
300 49P 0.9022
301 3R4 0.9021
302 B4O 0.9021
303 GO8 0.9019
304 8RK 0.9017
305 TSR 0.9015
306 CTE 0.9015
307 HRM 0.9014
308 MPK 0.9013
309 P7Y 0.9013
310 ODK 0.9013
311 6MW 0.9012
312 TOM 0.9011
313 C2Y 0.9011
314 PEY 0.9009
315 3ZB 0.9009
316 LLT 0.9009
317 DNF 0.9009
318 7O4 0.9004
319 PH2 0.9004
320 PMP 0.9004
321 5VL 0.9003
322 L07 0.9001
323 TB8 0.9001
324 1QV 0.9000
325 EVO 0.9000
326 JF1 0.8999
327 YZM 0.8999
328 B61 0.8999
329 GRX 0.8998
330 8W9 0.8998
331 6FB 0.8998
332 JWS 0.8998
333 QH3 0.8998
334 LSQ 0.8996
335 S3C 0.8996
336 ANF 0.8995
337 HWD 0.8995
338 JHY 0.8993
339 SOJ 0.8992
340 CX4 0.8991
341 344 0.8990
342 8Y7 0.8989
343 YE6 0.8989
344 9F8 0.8989
345 1Q4 0.8989
346 GLP 0.8988
347 7MW 0.8986
348 BY5 0.8986
349 0FR 0.8985
350 JOV 0.8983
351 E3X 0.8983
352 7FF 0.8981
353 2LY 0.8980
354 2D2 0.8980
355 0SY 0.8980
356 EQW 0.8979
357 6J5 0.8978
358 GNM 0.8977
359 LTT 0.8976
360 M4E 0.8976
361 SJK 0.8976
362 SKF 0.8976
363 D87 0.8975
364 4BX 0.8975
365 3D1 0.8975
366 S0E 0.8975
367 M6P 0.8974
368 F06 0.8973
369 UNJ 0.8971
370 AA 0.8971
371 5H6 0.8971
372 BK9 0.8970
373 5GT 0.8970
374 DUR 0.8969
375 4XF 0.8968
376 42R 0.8968
377 TOH 0.8968
378 MCY 0.8966
379 5P3 0.8964
380 ZON 0.8963
381 7FU 0.8962
382 535 0.8962
383 14W 0.8961
384 54E 0.8961
385 3RP 0.8960
386 RSV 0.8959
387 QIF 0.8959
388 7AP 0.8958
389 DNC 0.8957
390 HXY 0.8956
391 FQX 0.8956
392 CUQ 0.8956
393 EUE 0.8956
394 3LJ 0.8956
395 HHR 0.8956
396 PRL 0.8953
397 DNA 0.8953
398 2O6 0.8952
399 NFZ 0.8952
400 IQZ 0.8952
401 Q4G 0.8951
402 AY4 0.8951
403 TYR 0.8949
404 DTY 0.8949
405 L03 0.8948
406 P80 0.8948
407 4GP 0.8948
408 LDP 0.8948
409 A73 0.8948
410 5BT 0.8947
411 2QV 0.8946
412 FT6 0.8946
413 NLA 0.8946
414 AP6 0.8945
415 8WT 0.8945
416 GDL 0.8944
417 B2Y 0.8944
418 HH6 0.8943
419 DX2 0.8943
420 57O 0.8941
421 XFE 0.8940
422 9AP 0.8939
423 42J 0.8938
424 BZE 0.8938
425 D80 0.8937
426 B86 0.8937
427 YO5 0.8936
428 NEU 0.8936
429 96R 0.8936
430 HPP 0.8935
431 RUG 0.8935
432 9FH 0.8935
433 6DP 0.8934
434 LJ3 0.8933
435 JY2 0.8932
436 XDK 0.8932
437 1HR 0.8932
438 PFF 0.8932
439 A6P 0.8932
440 1VK 0.8931
441 CK1 0.8930
442 795 0.8929
443 JR2 0.8929
444 LDR 0.8929
445 8D6 0.8929
446 P93 0.8929
447 V2Z 0.8928
448 428 0.8928
449 HJ7 0.8927
450 R20 0.8927
451 H7Y 0.8926
452 WVV 0.8926
453 KDV 0.8925
454 1F1 0.8925
455 JB8 0.8924
456 MJ5 0.8924
457 M02 0.8922
458 96U 0.8922
459 JYT 0.8921
460 ARP 0.8921
461 BPY 0.8921
462 MUK 0.8920
463 0DN 0.8920
464 NBV 0.8920
465 4VS 0.8920
466 J38 0.8919
467 X11 0.8919
468 0HN 0.8919
469 55D 0.8918
470 QR2 0.8917
471 KMY 0.8916
472 94W 0.8915
473 4BF 0.8915
474 ZIP 0.8913
475 S0W 0.8912
476 ID2 0.8911
477 FPL 0.8911
478 NQH 0.8909
479 KLE 0.8908
480 AUV 0.8908
481 MUX 0.8907
482 CLU 0.8907
483 PXP 0.8906
484 9GP 0.8905
485 KYN 0.8905
486 BXZ 0.8905
487 PJW 0.8905
488 BVS 0.8904
489 2FY 0.8904
490 PD2 0.8902
491 S0D 0.8902
492 TQU 0.8901
493 GVY 0.8900
494 DDU 0.8898
495 BHS 0.8898
496 5WU 0.8898
497 ZYQ 0.8896
498 PUE 0.8896
499 IA2 0.8896
500 372 0.8895
501 CC5 0.8895
502 OQC 0.8895
503 M5E 0.8892
504 N2I 0.8891
505 TXW 0.8890
506 5GV 0.8888
507 0NX 0.8888
508 LIG 0.8888
509 22T 0.8887
510 P9E 0.8887
511 W81 0.8887
512 J1K 0.8887
513 GT4 0.8886
514 JF8 0.8884
515 C09 0.8884
516 ZYW 0.8883
517 K44 0.8882
518 JYE 0.8882
519 FDR 0.8882
520 TYC 0.8880
521 PW1 0.8880
522 LZ5 0.8880
523 0HO 0.8878
524 L13 0.8878
525 6C9 0.8877
526 JDN 0.8877
527 LFN 0.8877
528 6TZ 0.8877
529 HNT 0.8876
530 C0H 0.8875
531 XG1 0.8874
532 6C5 0.8874
533 MQG 0.8874
534 NPA 0.8874
535 JRB 0.8874
536 PH3 0.8873
537 F4E 0.8873
538 JXT 0.8872
539 PHI 0.8871
540 LJ4 0.8871
541 A7K 0.8871
542 60L 0.8870
543 STT 0.8869
544 ENO 0.8869
545 2LW 0.8867
546 JAH 0.8867
547 MEX 0.8867
548 FZM 0.8866
549 F90 0.8866
550 PPY 0.8866
551 8WZ 0.8865
552 B23 0.8865
553 0K7 0.8864
554 6SD 0.8863
555 JAW 0.8863
556 SLY 0.8863
557 4EU 0.8863
558 RGK 0.8863
559 A1Y 0.8862
560 H35 0.8862
561 BBY 0.8862
562 TJM 0.8860
563 D3G 0.8860
564 UFO 0.8860
565 6NT 0.8860
566 ESX 0.8858
567 LWS 0.8857
568 PLP PMP 0.8856
569 4NR 0.8856
570 PZP 0.8856
571 APS 0.8856
572 A5E 0.8856
573 5OF 0.8855
574 UAN 0.8855
575 K82 0.8854
576 RA7 0.8854
577 Q5M 0.8854
578 HWH 0.8854
579 X0U 0.8854
580 DC5 0.8854
581 YTX 0.8853
582 CX6 0.8852
583 7PJ 0.8852
584 JMG 0.8852
585 TI7 0.8852
586 4G2 0.8851
587 X0T 0.8851
588 I6G 0.8851
589 NIF 0.8851
590 CWJ 0.8850
591 2KU 0.8850
592 977 0.8850
593 AJG 0.8849
594 3D8 0.8848
595 27K 0.8848
596 L21 0.8847
597 25F 0.8847
598 OW7 0.8846
599 MZM 0.8845
600 HMZ 0.8845
601 H70 0.8845
602 ASE 0.8845
603 4TU 0.8844
604 3QV 0.8844
605 1HN 0.8843
606 H5B 0.8843
607 AVX 0.8841
608 AN3 0.8841
609 CH8 0.8841
610 8ZE 0.8841
611 WLH 0.8841
612 4WF 0.8841
613 1L5 0.8839
614 IWT 0.8839
615 AJY 0.8838
616 6L6 0.8838
617 W29 0.8838
618 BGP 0.8837
619 MSR 0.8837
620 NWD 0.8836
621 E1K 0.8836
622 6HX 0.8835
623 ELH 0.8834
624 NBG 0.8834
625 GJP 0.8834
626 CPZ 0.8834
627 GXG 0.8833
628 BGU 0.8832
629 VAO 0.8832
630 1DR 0.8832
631 BA5 0.8831
632 BZQ 0.8831
633 39Z 0.8830
634 2ZM 0.8830
635 FCW 0.8828
636 A9B 0.8828
637 NKI 0.8828
638 4FP 0.8827
639 ABF 0.8826
640 EV3 0.8826
641 MFR 0.8825
642 92O 0.8825
643 2P3 0.8824
644 NPX 0.8823
645 PDC 0.8823
646 6C4 0.8823
647 CKU 0.8822
648 J6W 0.8822
649 HSX 0.8822
650 GNJ 0.8821
651 3A9 0.8821
652 ODO 0.8820
653 6C8 0.8820
654 K80 0.8820
655 56N 0.8819
656 W8L 0.8819
657 BSA 0.8818
658 CCV 0.8818
659 6DQ 0.8818
660 LIP 0.8817
661 M9N 0.8817
662 QUB 0.8816
663 9KZ 0.8816
664 AZY 0.8816
665 ZEA 0.8816
666 2HU 0.8816
667 BP3 0.8816
668 YZ9 0.8815
669 RD4 0.8815
670 TCA 0.8815
671 0OY 0.8814
672 GC2 0.8814
673 DBQ 0.8813
674 SG2 0.8813
675 3R6 0.8813
676 LR2 0.8812
677 PBQ 0.8812
678 ZYC 0.8812
679 TT4 0.8811
680 6NI 0.8810
681 27M 0.8810
682 N2M 0.8809
683 9CE 0.8809
684 ZRK 0.8809
685 L1T 0.8808
686 S60 0.8807
687 M6D 0.8807
688 9FL 0.8807
689 1A5 0.8807
690 TYE 0.8805
691 C53 0.8805
692 FNA 0.8804
693 HL4 0.8801
694 3DT 0.8800
695 D9Z 0.8800
696 4B0 0.8800
697 GZQ 0.8800
698 IDZ 0.8800
699 G1P 0.8800
700 XEV 0.8799
701 272 0.8799
702 9FG 0.8799
703 MS0 0.8798
704 PE2 0.8797
705 X6P 0.8797
706 2QC 0.8795
707 0W1 0.8795
708 IQW 0.8794
709 PQT 0.8794
710 ESP 0.8794
711 4ME 0.8794
712 AOT 0.8793
713 J27 0.8793
714 MQB 0.8793
715 K37 0.8792
716 5NI 0.8792
717 ONZ 0.8791
718 VJJ 0.8791
719 P1J 0.8790
720 64E 0.8785
721 NVU 0.8784
722 8U3 0.8784
723 STV 0.8784
724 4RU 0.8784
725 GF4 0.8784
726 VBC 0.8783
727 1IT 0.8783
728 49O 0.8783
729 SQ7 0.8782
730 6Q3 0.8782
731 9CA 0.8782
732 9JT 0.8782
733 6NZ 0.8782
734 AEH 0.8782
735 DCZ 0.8781
736 K48 0.8781
737 GOE 0.8781
738 CDJ 0.8781
739 536 0.8781
740 MFZ 0.8780
741 J9Q 0.8780
742 97T 0.8780
743 27B 0.8780
744 ABI 0.8779
745 M3W 0.8779
746 8HG 0.8778
747 DEW 0.8778
748 I59 0.8777
749 AZM 0.8777
750 P83 0.8776
751 57D 0.8775
752 E1P 0.8775
753 LVD 0.8775
754 UKV 0.8774
755 HJH 0.8773
756 6FG 0.8773
757 TIA 0.8773
758 BNL 0.8773
759 WUB 0.8772
760 4HB 0.8771
761 L46 0.8770
762 CUH 0.8770
763 E9S 0.8769
764 SNU 0.8769
765 C2M 0.8769
766 GXD 0.8767
767 1EL 0.8767
768 092 0.8765
769 BC3 0.8765
770 5S9 0.8764
771 HPT 0.8764
772 20D 0.8764
773 3NY 0.8763
774 3WL 0.8763
775 YPN 0.8762
776 1BW 0.8762
777 VT3 0.8761
778 PMM 0.8761
779 50C 0.8759
780 5XC 0.8758
781 JND 0.8757
782 PTS 0.8756
783 SU9 0.8756
784 1SF 0.8756
785 JGB 0.8755
786 3AD 0.8755
787 ZEC 0.8754
788 NK5 0.8754
789 PQZ 0.8754
790 5TO 0.8753
791 FHV 0.8753
792 MAJ 0.8753
793 6X9 0.8753
794 N9J 0.8752
795 R4E 0.8752
796 NRA 0.8751
797 1V1 0.8751
798 EXD 0.8750
799 6VD 0.8750
800 4LW 0.8750
801 H2W 0.8749
802 4LV 0.8749
803 0XT 0.8748
804 TZM 0.8748
805 L5V 0.8747
806 FMQ 0.8745
807 NE2 0.8744
808 2J1 0.8744
809 F6P 0.8744
810 ICO 0.8743
811 WOE 0.8742
812 HLP 0.8742
813 CPW 0.8742
814 I3E 0.8742
815 H75 0.8741
816 VFG 0.8741
817 6ZW 0.8741
818 AZC 0.8741
819 0OK 0.8740
820 SQ4 0.8740
821 GNR 0.8738
822 Z5P 0.8738
823 F2W 0.8737
824 ERZ 0.8736
825 HHH 0.8736
826 MW5 0.8736
827 HNL 0.8736
828 Q9P 0.8735
829 NTF 0.8733
830 CG 0.8733
831 0OL 0.8732
832 4CN 0.8731
833 SSY 0.8731
834 XIZ 0.8731
835 YIE 0.8730
836 DE7 0.8730
837 IV2 0.8730
838 X29 0.8730
839 HQJ 0.8730
840 PVK 0.8728
841 OUB 0.8728
842 SHA 0.8727
843 E9L 0.8726
844 LZB 0.8725
845 0XR 0.8725
846 PVQ 0.8725
847 SYR 0.8725
848 39O 0.8725
849 NGA 0.8725
850 SOV 0.8724
851 MJW 0.8723
852 G30 0.8722
853 TZF 0.8722
854 HJ8 0.8722
855 SWX 0.8721
856 S1D 0.8720
857 MUR 0.8720
858 AVO 0.8720
859 ADN 0.8719
860 OMD 0.8718
861 2UZ 0.8717
862 E9P 0.8717
863 KJU 0.8717
864 6GP 0.8715
865 3L1 0.8715
866 1Z6 0.8714
867 KUF 0.8714
868 BDI 0.8713
869 B2T 0.8713
870 M01 0.8712
871 JG8 0.8712
872 LUM 0.8712
873 FLV 0.8711
874 5F1 0.8710
875 492 0.8710
876 JA3 0.8710
877 15E 0.8710
878 R2P 0.8709
879 CGW 0.8709
880 CNI 0.8709
881 2HQ 0.8709
882 9H2 0.8709
883 56D 0.8709
884 CBE 0.8707
885 DCN 0.8705
886 TL6 0.8705
887 SAF 0.8705
888 4GU 0.8704
889 SQP 0.8704
890 RP5 0.8704
891 M4N 0.8704
892 ML1 0.8701
893 BL0 0.8701
894 6PB 0.8701
895 IPD 0.8701
896 2DL 0.8700
897 069 0.8700
898 69K 0.8699
899 JYB 0.8699
900 7WR 0.8698
901 36Y 0.8697
902 X2M 0.8697
903 6QT 0.8696
904 OTA 0.8695
905 AJD 0.8694
906 BZ2 0.8694
907 DFL 0.8694
908 C1M 0.8692
909 8CC 0.8692
910 NDG 0.8692
911 CUT 0.8691
912 NYJ 0.8691
913 AMQ 0.8690
914 1HP 0.8689
915 F4K 0.8688
916 HX4 0.8688
917 1ER 0.8687
918 JRO 0.8686
919 CZ0 0.8686
920 BP6 0.8685
921 0J5 0.8685
922 MIG 0.8684
923 Z25 0.8684
924 KY3 0.8684
925 Z21 0.8683
926 F1X 0.8683
927 52C 0.8683
928 7ZC 0.8682
929 A9K 0.8682
930 46P 0.8682
931 PF1 0.8681
932 EY2 0.8681
933 SZ5 0.8681
934 2PK 0.8680
935 GNY 0.8679
936 EE8 0.8678
937 3VS 0.8678
938 4AF 0.8678
939 VC3 0.8678
940 JTF 0.8677
941 4VY 0.8676
942 2JM 0.8676
943 SCT 0.8675
944 3B4 0.8675
945 5RP 0.8674
946 5VJ 0.8674
947 S0F 0.8674
948 K7H 0.8674
949 JXW 0.8673
950 AU8 0.8672
951 7VS 0.8672
952 MOK 0.8670
953 25O 0.8670
954 M2E 0.8670
955 URI 0.8669
956 F69 0.8668
957 M1Z 0.8668
958 9TF 0.8668
959 ZRL 0.8668
960 BPU 0.8666
961 ICB 0.8665
962 7VP 0.8664
963 DEE 0.8664
964 549 0.8663
965 GFE 0.8663
966 ATX 0.8662
967 209 0.8662
968 2BG 0.8662
969 2F6 0.8662
970 SXX 0.8661
971 CS2 0.8661
972 CP6 0.8660
973 226 0.8660
974 JY4 0.8659
975 4MB 0.8659
976 7ME 0.8658
977 8MO 0.8658
978 34L 0.8654
979 O2Y 0.8653
980 TR4 0.8653
981 UL1 0.8653
982 STZ 0.8652
983 YX1 0.8652
984 4MU 0.8652
985 537 0.8652
986 AHU 0.8651
987 FHC 0.8651
988 N2Z 0.8651
989 1FL 0.8651
990 IL5 0.8651
991 BTM 0.8650
992 JGY 0.8650
993 P2L 0.8650
994 VUP 0.8649
995 PHE 0.8649
996 AOJ 0.8649
997 N3W 0.8649
998 IPT 0.8649
999 7EH 0.8646
1000 TCL 0.8646
1001 8GK 0.8646
1002 NHT 0.8646
1003 PRF 0.8646
1004 45L 0.8645
1005 P4T 0.8645
1006 HX8 0.8644
1007 R9Y 0.8643
1008 F9Y 0.8642
1009 5LA 0.8642
1010 67X 0.8642
1011 BPW 0.8641
1012 K4V 0.8640
1013 6E8 0.8640
1014 OTR 0.8640
1015 M0W 0.8640
1016 SQM 0.8639
1017 KTJ 0.8638
1018 11X 0.8638
1019 TYL 0.8638
1020 1KN 0.8636
1021 E7S 0.8636
1022 5OB 0.8636
1023 6P3 0.8634
1024 BRH 0.8633
1025 4NP 0.8630
1026 2PV 0.8630
1027 N4E 0.8630
1028 2FQ 0.8630
1029 HDH 0.8629
1030 UAY 0.8629
1031 3F4 0.8629
1032 4MP 0.8627
1033 80G 0.8627
1034 HLD 0.8627
1035 5DS 0.8627
1036 6FZ 0.8626
1037 HNH 0.8625
1038 G12 0.8623
1039 NPS 0.8622
1040 BZ3 0.8621
1041 NLQ 0.8620
1042 LDC 0.8620
1043 5GU 0.8619
1044 NDD 0.8617
1045 PO6 0.8616
1046 OSB 0.8614
1047 LP8 0.8613
1048 CUE 0.8613
1049 GB5 0.8611
1050 2KA 0.8611
1051 A4T 0.8611
1052 0QV 0.8610
1053 RK4 0.8609
1054 19E 0.8608
1055 0BP 0.8607
1056 2GD 0.8607
1057 P0P 0.8607
1058 P9I 0.8605
1059 6JO 0.8604
1060 KDG 0.8604
1061 A9O 0.8601
1062 TA6 0.8600
1063 DT7 0.8600
1064 HNK 0.8599
1065 1CY 0.8597
1066 A5P 0.8596
1067 LVY 0.8595
1068 OVP 0.8595
1069 R8Y 0.8594
1070 LO1 0.8591
1071 DBS 0.8591
1072 H33 0.8589
1073 6R8 0.8586
1074 61O 0.8585
1075 TWO 0.8585
1076 EVF 0.8584
1077 AX3 0.8584
1078 2AK 0.8583
1079 GNG 0.8583
1080 2WU 0.8582
1081 R9J 0.8580
1082 LZ2 0.8578
1083 A2G 0.8576
1084 FYR 0.8574
1085 OLU 0.8574
1086 7QD 0.8573
1087 OVM 0.8573
1088 1BN 0.8573
1089 AXX 0.8573
1090 YEX 0.8572
1091 AD3 0.8571
1092 0J4 0.8570
1093 S62 0.8570
1094 BJ4 0.8569
1095 PBA 0.8569
1096 4NS 0.8568
1097 QME 0.8566
1098 2FA 0.8564
1099 FHI 0.8563
1100 1XA 0.8562
1101 MAG 0.8559
1102 NFA 0.8558
1103 NGO 0.8552
1104 AH9 0.8550
1105 L15 0.8549
1106 5NS 0.8549
1107 RM1 0.8549
1108 B1J 0.8548
1109 PNP 0.8547
1110 QZ8 0.8546
1111 K3Q 0.8545
1112 I4D 0.8545
1113 MTS 0.8541
1114 GLO 0.8538
1115 DNB 0.8537
1116 DPT 0.8535
1117 HMD 0.8534
1118 KOM 0.8529
1119 TIZ 0.8527
1120 5I5 0.8523
1121 GDE 0.8519
1122 JO5 0.8518
1123 M4B 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SQA; Ligand: UI1; Similar sites found with APoc: 19
This union binding pocket(no: 1) in the query (biounit: 1sqa.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 2EC9 24X 46.5306
2 3VXE DPN PRO ARG 47.3469
3 2A2X NA9 47.3469
4 2A2X NA9 47.3469
5 2ANK N12 47.3469
6 1O0D 163 47.3469
7 1O0D 163 47.3469
8 2FES 3SP 47.3469
9 2FEQ 34P 47.3469
10 2FEQ 34P 47.3469
11 1NZQ 162 47.3469
12 2ANM CDO 47.3469
13 1C4V IH2 47.3469
14 1NFU RRP 48.1633
15 2VH6 GSV 48.1633
16 4BTI 7R9 48.1633
17 1SL3 170 48.5714
18 1ETS MID 48.9796
19 1BHX R56 49.6599
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