Receptor
PDB id Resolution Class Description Source Keywords
4CR5 2 Å EC: 3.4.21.27 CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GEN AND STRUCTURE AIDED DRUG DESIGN HOMO SAPIENS HYDROLASE
Ref.: CREATING NOVEL ACTIVATED FACTOR XI INHIBITORS THROU FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DESIGN. PLOS ONE V. 10 13705 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:1494;
A:1491;
A:1493;
A:1495;
A:1496;
A:1492;
A:1490;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
0TU A:1489;
Valid;
none;
Ki = 70 uM
179.603 C9 H6 Cl N O c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WB6 2.35 Å EC: 3.4.21.27 FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(11S)-11-({ CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)-6-FLU1 ,3,4,10,11,13-HEXAHYDRO-2H-5,9:15,12-DI(AZENO)-1,13- BE NZODIAZACYCLOHEPTADECIN-18-YL]CARBAMATE HOMO SAPIENS HYDROLASE SERINE PROTEASE BLOOD COAGULATION FACTOR PROTEIINHIBITOR COMPLEX HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: MACROCYCLIC FACTOR XIA INHIBITORS. BIOORG. MED. CHEM. LETT. V. 27 4056 2017
Members (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5TKU Ki = 0.16 nM 7DK C28 H28 Cl N9 O4 COC(=O)Nc1....
2 4NA8 Ki = 1.5 nM 1T6 C31 H28 N4 O3 [H]/N=C(/c....
3 5WB6 Ki = 0.02 nM 9ZM C31 H26 Cl F N10 O4 COC(=O)Nc1....
4 5Q0H Ki = 12 nM 9F1 C27 H26 Cl F2 N5 O4 Cc1cc(c(c(....
5 5TKT Ki = 3.2 nM 7DS C28 H26 Cl N9 O4 COC(=O)Nc1....
6 4CRG - J4X C22 H18 N6 O [H]/N=C(c1....
7 5EXL Ki = 3.7 nM 5SS C28 H31 N5 O2 c1ccc(cc1)....
8 6TS5 ic50 = 0.003 uM NW2 C27 H29 N O5 CC(C)c1cc(....
9 6VLU Ki = 149.1 nM R2Y C27 H37 F2 N5 O2 CC(C)C[C@H....
10 5E2O Ki = 2 nM 5JM C26 H21 Cl N6 O4 c1ccc(cc1)....
11 4CRB Ki = 0.027 uM 7P0 C28 H24 Cl N7 O4 c1ccc(cc1)....
12 6TS6 ic50 = 0.004 uM NW5 C27 H26 N2 O4 CC(C)(C#N)....
13 5TKS Ki = 68 nM 7DL C29 H30 Cl2 N8 O3 COC(=O)Nc1....
14 5QTY Ki = 2.5 nM QLJ C32 H33 Cl N8 O5 CCOC(=O)[C....
15 5Q0E Ki = 0.69 nM 9FD C29 H30 Cl N9 O4 C[C@H]1CCC....
16 4CRE - MVN C10 H8 Cl N O CC1=CC(=O)....
17 4CRA Ki = 0.06 uM XJ8 C29 H25 N5 O4 c1ccc(cc1)....
18 1ZHR - BEN C7 H8 N2 [H]/N=C(c1....
19 5E2P Ki = 1.6 nM 7P0 C28 H24 Cl N7 O4 c1ccc(cc1)....
20 3BG8 - BEN C7 H8 N2 [H]/N=C(c1....
21 4X6P Ki = 5 nM 3YU C28 H23 Cl N10 O c1ccc(cc1)....
22 5Q0D Ki = 1 nM 9EY C27 H26 Cl N9 O4 COC(=O)Nc1....
23 4X6O Ki = 1.9 nM 3Y4 C29 H26 Cl2 N8 O3 COC(=O)Nc1....
24 5EXN Ki = 23 nM 5SU C31 H26 Cl N7 O3 COC(=O)Nc1....
25 4CR9 Ki = 80 uM OTW C10 H11 N3 Cc1cc(nc2c....
26 6TS4 ic50 = 2.8 uM J7B C22 H20 N2 O3 c1ccc(c(c1....
27 6USY Ki = 0.0004 uM QGS C28 H28 N2 O4 CC(C)c1cc(....
28 4CRC Ki = 0.0019 uM OTM C26 H21 Cl N10 O2 c1ccc(cc1)....
29 5QCL Ki = 11 nM BUY C27 H21 Cl N6 O4 c1ccc2c(c1....
30 1ZHM - BEN C7 H8 N2 [H]/N=C(c1....
31 5EXM Ki = 6.3 nM 5ST C29 H34 N4 O3 COC(=O)Nc1....
32 4TY7 Ki = 0.3 nM 39F C26 H30 Cl N7 O c1ccc(cc1)....
33 5QTT Ki = 3.4 nM QEY C30 H29 Cl F N7 O4 C[C@@H]1CC....
34 6W50 Ki = 0.3 nM SWP C31 H29 Cl F2 N4 O4 C[C@@H]1CC....
35 5QQP Ki = 5.3 nM NR7 C29 H30 Cl N5 O4 COC(=O)Nc1....
36 6C0S Ki = 89 nM EEJ C31 H31 Cl2 N9 O4 CC(=O)N1CC....
37 4CRF Ki = 0.0005 uM R9B C29 H23 Cl N4 O5 c1ccc(cc1)....
38 5QCN Ki = 6 nM BVM C36 H34 Cl N7 O7 CCOC(=O)[C....
39 6VLV Ki = 5.33 nM R3A C19 H25 Cl N6 O4 S [H]/N=C(/N....
40 5QTV Ki = 1.1 nM QLS C28 H27 Cl F3 N9 O3 COC(=O)Nc1....
41 4X6M Ki = 5.8 nM 3Y3 C27 H26 Cl2 N8 O c1ccc(cc1)....
42 5QTW Ki = 0.46 nM QLM C29 H30 Cl N9 O5 COC(=O)[C@....
43 4CR5 Ki = 70 uM 0TU C9 H6 Cl N O c1cc2c(cc1....
44 4CRD Ki = 0.08 uM OTJ C22 H22 Cl2 N8 O3 COC(=O)Nc1....
45 5QCM Ki = 110 nM BVJ C28 H23 Cl F N7 O4 COC(=O)Nc1....
70% Homology Family (50)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5TKU Ki = 0.16 nM 7DK C28 H28 Cl N9 O4 COC(=O)Nc1....
2 4NA8 Ki = 1.5 nM 1T6 C31 H28 N4 O3 [H]/N=C(/c....
3 5WB6 Ki = 0.02 nM 9ZM C31 H26 Cl F N10 O4 COC(=O)Nc1....
4 5Q0H Ki = 12 nM 9F1 C27 H26 Cl F2 N5 O4 Cc1cc(c(c(....
5 5TKT Ki = 3.2 nM 7DS C28 H26 Cl N9 O4 COC(=O)Nc1....
6 4CRG - J4X C22 H18 N6 O [H]/N=C(c1....
7 5EXL Ki = 3.7 nM 5SS C28 H31 N5 O2 c1ccc(cc1)....
8 6TS5 ic50 = 0.003 uM NW2 C27 H29 N O5 CC(C)c1cc(....
9 6VLU Ki = 149.1 nM R2Y C27 H37 F2 N5 O2 CC(C)C[C@H....
10 5E2O Ki = 2 nM 5JM C26 H21 Cl N6 O4 c1ccc(cc1)....
11 4CRB Ki = 0.027 uM 7P0 C28 H24 Cl N7 O4 c1ccc(cc1)....
12 6TS6 ic50 = 0.004 uM NW5 C27 H26 N2 O4 CC(C)(C#N)....
13 5TKS Ki = 68 nM 7DL C29 H30 Cl2 N8 O3 COC(=O)Nc1....
14 5QTY Ki = 2.5 nM QLJ C32 H33 Cl N8 O5 CCOC(=O)[C....
15 5Q0E Ki = 0.69 nM 9FD C29 H30 Cl N9 O4 C[C@H]1CCC....
16 4CRE - MVN C10 H8 Cl N O CC1=CC(=O)....
17 4CRA Ki = 0.06 uM XJ8 C29 H25 N5 O4 c1ccc(cc1)....
18 1ZHR - BEN C7 H8 N2 [H]/N=C(c1....
19 5E2P Ki = 1.6 nM 7P0 C28 H24 Cl N7 O4 c1ccc(cc1)....
20 3BG8 - BEN C7 H8 N2 [H]/N=C(c1....
21 4X6P Ki = 5 nM 3YU C28 H23 Cl N10 O c1ccc(cc1)....
22 5Q0D Ki = 1 nM 9EY C27 H26 Cl N9 O4 COC(=O)Nc1....
23 4X6O Ki = 1.9 nM 3Y4 C29 H26 Cl2 N8 O3 COC(=O)Nc1....
24 5EXN Ki = 23 nM 5SU C31 H26 Cl N7 O3 COC(=O)Nc1....
25 4CR9 Ki = 80 uM OTW C10 H11 N3 Cc1cc(nc2c....
26 6TS4 ic50 = 2.8 uM J7B C22 H20 N2 O3 c1ccc(c(c1....
27 6USY Ki = 0.0004 uM QGS C28 H28 N2 O4 CC(C)c1cc(....
28 4CRC Ki = 0.0019 uM OTM C26 H21 Cl N10 O2 c1ccc(cc1)....
29 5QCL Ki = 11 nM BUY C27 H21 Cl N6 O4 c1ccc2c(c1....
30 1ZHM - BEN C7 H8 N2 [H]/N=C(c1....
31 5EXM Ki = 6.3 nM 5ST C29 H34 N4 O3 COC(=O)Nc1....
32 4TY7 Ki = 0.3 nM 39F C26 H30 Cl N7 O c1ccc(cc1)....
33 5QTT Ki = 3.4 nM QEY C30 H29 Cl F N7 O4 C[C@@H]1CC....
34 6W50 Ki = 0.3 nM SWP C31 H29 Cl F2 N4 O4 C[C@@H]1CC....
35 5QQP Ki = 5.3 nM NR7 C29 H30 Cl N5 O4 COC(=O)Nc1....
36 6C0S Ki = 89 nM EEJ C31 H31 Cl2 N9 O4 CC(=O)N1CC....
37 4CRF Ki = 0.0005 uM R9B C29 H23 Cl N4 O5 c1ccc(cc1)....
38 5QCN Ki = 6 nM BVM C36 H34 Cl N7 O7 CCOC(=O)[C....
39 6VLV Ki = 5.33 nM R3A C19 H25 Cl N6 O4 S [H]/N=C(/N....
40 5QTV Ki = 1.1 nM QLS C28 H27 Cl F3 N9 O3 COC(=O)Nc1....
41 4X6M Ki = 5.8 nM 3Y3 C27 H26 Cl2 N8 O c1ccc(cc1)....
42 5QTW Ki = 0.46 nM QLM C29 H30 Cl N9 O5 COC(=O)[C@....
43 4CR5 Ki = 70 uM 0TU C9 H6 Cl N O c1cc2c(cc1....
44 4CRD Ki = 0.08 uM OTJ C22 H22 Cl2 N8 O3 COC(=O)Nc1....
45 5QCM Ki = 110 nM BVJ C28 H23 Cl F N7 O4 COC(=O)Nc1....
46 2ANW - BAM C7 H9 N2 c1ccc(cc1)....
47 2ANY - BAM C7 H9 N2 c1ccc(cc1)....
48 5TJX - GBT C29 H33 N7 O3 Cc1c2c(cc(....
49 6O1S - 7SD C23 H25 N7 O Cc1cc(nc(c....
50 6T7P Ki = 0.97 uM MU8 C26 H24 Cl N3 O3 c1ccc(cc1)....
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: 0TU; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 0TU 1 1
2 OCH 0.404255 0.851852
Similar Ligands (3D)
Ligand no: 1; Ligand: 0TU; Similar ligands found: 1106
No: Ligand Similarity coefficient
1 4YO 1.0000
2 MQN 1.0000
3 4JQ 0.9984
4 9R5 0.9902
5 2HQ 0.9807
6 K2T 0.9776
7 0FO 0.9754
8 TGX 0.9750
9 FBB 0.9746
10 03V 0.9727
11 4FS 0.9725
12 B62 0.9722
13 15E 0.9715
14 2AQ 0.9710
15 XHP 0.9710
16 86J 0.9707
17 OTW 0.9704
18 ES5 0.9703
19 COU 0.9700
20 QX4 0.9698
21 DQU 0.9696
22 H42 0.9691
23 MVN 0.9683
24 36R 0.9678
25 3PF 0.9667
26 PH2 0.9666
27 JB5 0.9663
28 44W 0.9655
29 CLW 0.9649
30 6ME 0.9649
31 5QY 0.9644
32 KDV 0.9624
33 94W 0.9621
34 44V 0.9615
35 VGD 0.9614
36 8ZE 0.9611
37 D48 0.9608
38 5VM 0.9607
39 G3E 0.9606
40 3QV 0.9605
41 KUF 0.9592
42 1P8 0.9591
43 5WV 0.9586
44 ES2 0.9579
45 N2I 0.9576
46 CWJ 0.9567
47 PRF 0.9565
48 ET2 0.9559
49 J6W 0.9557
50 TTL 0.9553
51 J5I 0.9551
52 HHR 0.9548
53 2BG 0.9534
54 SE2 0.9534
55 1M2 0.9526
56 0P6 0.9509
57 2FY 0.9509
58 CTL 0.9508
59 TYL 0.9506
60 CWS 0.9497
61 XIY 0.9494
62 7W1 0.9485
63 ISN 0.9484
64 4JT 0.9484
65 MS9 0.9483
66 XQ0 0.9478
67 BGC 0.9478
68 N8Y 0.9477
69 8CM 0.9476
70 BZ3 0.9468
71 MRW 0.9467
72 MSR 0.9467
73 9FL 0.9463
74 ES7 0.9460
75 PXL 0.9457
76 E5X 0.9450
77 DIN 0.9445
78 2FQ 0.9445
79 KKN 0.9444
80 AJV 0.9444
81 HDH 0.9443
82 A29 0.9443
83 JAE 0.9442
84 KJH 0.9441
85 FDR 0.9441
86 12Q 0.9438
87 ANN 0.9434
88 F9Y 0.9434
89 QBK 0.9433
90 5OB 0.9430
91 5XC 0.9430
92 SYV 0.9430
93 SKA 0.9429
94 PNZ 0.9428
95 A7W 0.9424
96 9CA 0.9423
97 J9T 0.9422
98 PKU 0.9421
99 1IT 0.9418
100 7W4 0.9418
101 ABV 0.9414
102 11S 0.9412
103 M1Q 0.9407
104 5QX 0.9405
105 AJ2 0.9405
106 6RQ 0.9401
107 7MU 0.9401
108 TH7 0.9400
109 CLZ 0.9399
110 HQT 0.9399
111 KJU 0.9399
112 XAZ 0.9398
113 3Z8 0.9397
114 FK1 0.9396
115 BCU 0.9395
116 H4N 0.9392
117 IWT 0.9392
118 1P7 0.9390
119 4BZ 0.9390
120 173 0.9389
121 I3E 0.9389
122 AZ9 0.9382
123 B5D 0.9381
124 LT2 0.9379
125 4M0 0.9377
126 5MI 0.9375
127 ES9 0.9371
128 8NY 0.9368
129 MUA 0.9368
130 F4E 0.9366
131 PAB 0.9365
132 6NT 0.9364
133 J9W 0.9364
134 5H1 0.9362
135 BEA 0.9362
136 I3A 0.9361
137 5GU 0.9360
138 JLZ 0.9360
139 14O 0.9359
140 E7Z 0.9359
141 0HO 0.9358
142 URC 0.9358
143 4Z4 0.9356
144 0JD 0.9356
145 2K4 0.9355
146 E7S 0.9355
147 ISZ 0.9354
148 IV2 0.9354
149 I1E 0.9353
150 SNU 0.9353
151 CFI 0.9353
152 F60 0.9352
153 MEW 0.9351
154 ZYR 0.9351
155 Q24 0.9350
156 8WO 0.9350
157 2AK 0.9349
158 HMH 0.9349
159 FA0 0.9348
160 PHB 0.9348
161 4RU 0.9347
162 4HC 0.9346
163 GJP 0.9346
164 DMD 0.9345
165 BPN 0.9345
166 AJY 0.9343
167 2MI 0.9342
168 M5K 0.9342
169 AX7 0.9341
170 1HN 0.9341
171 FYU 0.9339
172 BHA 0.9339
173 BZX 0.9339
174 UNJ 0.9336
175 15N 0.9335
176 5MB 0.9334
177 KTJ 0.9334
178 R9Y 0.9333
179 5B1 0.9332
180 PQ0 0.9332
181 QUZ 0.9332
182 INO 0.9332
183 DOB 0.9331
184 3ID 0.9330
185 AQO 0.9330
186 MR1 0.9330
187 2K8 0.9329
188 EN1 0.9328
189 NPY 0.9327
190 6KT 0.9327
191 AN3 0.9326
192 7HQ 0.9324
193 3A9 0.9324
194 CH9 0.9323
195 3HM 0.9321
196 2HU 0.9318
197 BHO 0.9318
198 4AA 0.9317
199 5NI 0.9317
200 HBD 0.9317
201 GLC 0.9314
202 TZF 0.9312
203 3NY 0.9312
204 4BL 0.9312
205 3ZB 0.9311
206 CPZ 0.9311
207 0HN 0.9309
208 DHB 0.9309
209 NPO 0.9309
210 4TU 0.9308
211 4A3 0.9308
212 4P5 0.9308
213 C1M 0.9307
214 4BY 0.9306
215 BZ2 0.9306
216 4MA 0.9305
217 6NI 0.9304
218 OTR 0.9303
219 2ZM 0.9299
220 AZ8 0.9299
221 174 0.9297
222 5LA 0.9296
223 4NC 0.9292
224 XX2 0.9292
225 5CU 0.9292
226 1F1 0.9288
227 4NM 0.9288
228 E1T 0.9288
229 PE0 0.9288
230 ABI 0.9287
231 6AI 0.9287
232 8H8 0.9286
233 270 0.9285
234 L22 0.9284
235 NDH 0.9283
236 TT4 0.9281
237 1KP 0.9280
238 FHC 0.9280
239 HQD 0.9279
240 4WL 0.9279
241 ESP 0.9277
242 Z82 0.9277
243 069 0.9277
244 GVG 0.9277
245 RM1 0.9275
246 FHB 0.9274
247 FDB 0.9273
248 PBZ 0.9273
249 4V2 0.9272
250 1Y6 0.9272
251 ICB 0.9268
252 3MB 0.9266
253 2HO 0.9265
254 JG8 0.9263
255 NIZ 0.9263
256 NNO 0.9261
257 GXY 0.9260
258 J9Q 0.9260
259 MYJ 0.9258
260 93K 0.9258
261 JAW 0.9257
262 OVM 0.9254
263 SNO 0.9253
264 428 0.9252
265 M6N 0.9250
266 8WT 0.9249
267 BTY 0.9247
268 12T 0.9244
269 HQJ 0.9244
270 5NU 0.9241
271 EA1 0.9240
272 JDN 0.9236
273 75K 0.9236
274 826 0.9236
275 A5E 0.9235
276 XM0 0.9235
277 0N7 0.9232
278 5RO 0.9231
279 2EC 0.9231
280 4ZA 0.9230
281 3DM 0.9229
282 INE 0.9228
283 X0U 0.9228
284 JB8 0.9227
285 5JQ 0.9226
286 P72 0.9226
287 67N 0.9225
288 TPA 0.9225
289 PHU 0.9222
290 8TX 0.9222
291 4FA 0.9222
292 2D0 0.9214
293 SW7 0.9213
294 92K 0.9210
295 2A9 0.9210
296 ESX 0.9210
297 HX4 0.9208
298 6FZ 0.9208
299 6M9 0.9207
300 8OZ 0.9207
301 HHS 0.9204
302 KT7 0.9203
303 GCS 0.9203
304 DBH 0.9202
305 8XL 0.9201
306 0BP 0.9201
307 8W9 0.9200
308 5RN 0.9198
309 DRL 0.9198
310 PIY 0.9198
311 PIM 0.9198
312 Q71 0.9196
313 M1A 0.9195
314 0FN 0.9195
315 QWN 0.9195
316 97T 0.9195
317 3F0 0.9194
318 ICO 0.9194
319 P9P 0.9193
320 ODO 0.9192
321 PBA 0.9192
322 NSP 0.9191
323 PEY 0.9190
324 HIS 0.9189
325 3HA 0.9187
326 A7H 0.9187
327 0FK 0.9186
328 P92 0.9184
329 2CK 0.9183
330 344 0.9182
331 AC6 0.9181
332 CK2 0.9180
333 9ZE 0.9180
334 7VP 0.9180
335 CHB 0.9178
336 1A7 0.9177
337 GAL 0.9177
338 2KA 0.9173
339 5TY 0.9173
340 B55 0.9170
341 20J 0.9170
342 3M0 0.9165
343 F9P 0.9165
344 APZ 0.9164
345 FE DB1 0.9164
346 8HC 0.9162
347 M4T 0.9160
348 9TW 0.9160
349 G3F 0.9160
350 K34 0.9158
351 CWM 0.9158
352 42A 0.9156
353 JA8 0.9155
354 4NB 0.9155
355 68A 0.9154
356 TSS 0.9154
357 Q88 0.9151
358 92P 0.9150
359 27B 0.9150
360 NID 0.9146
361 RNO 0.9146
362 FBM 0.9145
363 F05 0.9145
364 ADZ 0.9144
365 M4E 0.9143
366 MO8 0.9141
367 259 0.9140
368 0W8 0.9139
369 BDP 0.9139
370 4CS 0.9139
371 JBK 0.9137
372 39O 0.9137
373 R8V 0.9136
374 HNT 0.9135
375 QSB 0.9133
376 SOE 0.9133
377 1DW 0.9132
378 L5V 0.9130
379 BNL 0.9128
380 LQ2 0.9127
381 VK3 0.9127
382 B57 0.9124
383 1SQ 0.9124
384 NOJ 0.9124
385 GTQ 0.9123
386 PYQ 0.9122
387 OAA 0.9121
388 HBO 0.9120
389 NCT 0.9120
390 QXW 0.9119
391 ES0 0.9119
392 5JL 0.9118
393 VXX 0.9118
394 24W 0.9117
395 2LY 0.9116
396 MAQ 0.9116
397 IHB 0.9116
398 5SG 0.9115
399 C2Y 0.9114
400 1NP 0.9114
401 SN4 0.9114
402 1PT 0.9113
403 AA 0.9111
404 OW4 0.9110
405 1LQ 0.9110
406 36Y 0.9110
407 4MU 0.9108
408 GZL 0.9108
409 4YS 0.9107
410 DE5 0.9106
411 5Q0 0.9106
412 NQ 0.9103
413 717 0.9103
414 4JC 0.9102
415 N0Z 0.9101
416 7B4 0.9100
417 TOF 0.9097
418 6FB 0.9096
419 3NT 0.9095
420 5IQ 0.9092
421 ROI 0.9092
422 B60 0.9091
423 G12 0.9087
424 6VD 0.9087
425 8NX 0.9086
426 ANF 0.9086
427 GNM 0.9086
428 6M4 0.9086
429 8GC 0.9086
430 LZM 0.9085
431 5RG 0.9084
432 8S0 0.9084
433 ES1 0.9082
434 ESI 0.9082
435 ZZZ 0.9081
436 0RW 0.9080
437 GAB 0.9079
438 OVP 0.9079
439 5VL 0.9078
440 8IG 0.9077
441 SHA 0.9076
442 L99 0.9076
443 HQY 0.9075
444 32X 0.9075
445 AMH 0.9074
446 M2K 0.9074
447 JPZ 0.9073
448 N5J 0.9072
449 DX3 0.9072
450 NAG 0.9071
451 4I8 0.9070
452 XAN 0.9070
453 TTY 0.9068
454 MWP 0.9067
455 IFP 0.9066
456 KJY 0.9065
457 BPY 0.9064
458 6QF 0.9064
459 3R4 0.9064
460 RXA 0.9062
461 YRL 0.9062
462 GO2 0.9062
463 PJW 0.9061
464 IPB 0.9060
465 SLS 0.9057
466 UFO 0.9055
467 B53 0.9053
468 4XR 0.9051
469 6TZ 0.9051
470 TWO 0.9049
471 BPU 0.9044
472 AZA 0.9044
473 Q77 0.9043
474 9EW 0.9041
475 GWM 0.9040
476 HHA 0.9040
477 MPV 0.9038
478 JBZ 0.9036
479 HA5 0.9035
480 TYR 0.9035
481 54G 0.9034
482 PZM 0.9033
483 SAL 0.9032
484 3HB 0.9031
485 O72 0.9031
486 W81 0.9029
487 H4E 0.9028
488 9DG 0.9026
489 KOJ 0.9025
490 JBH 0.9022
491 FQI 0.9022
492 OVV 0.9019
493 KTW 0.9018
494 X0V 0.9018
495 5M0 0.9017
496 AKG 0.9017
497 GDE 0.9016
498 HBA 0.9016
499 GF4 0.9015
500 DRG 0.9014
501 3AB 0.9014
502 7VS 0.9013
503 37T 0.9013
504 ASO 0.9012
505 DHQ 0.9012
506 GCU 0.9012
507 1WG 0.9009
508 FUD 0.9008
509 HLR 0.9006
510 M4S 0.9006
511 LDP 0.9006
512 1XM 0.9004
513 1Z6 0.9004
514 53C 0.9004
515 SVN 0.9003
516 9MG 0.9003
517 0XT 0.9001
518 HC4 0.9000
519 4ME 0.9000
520 0F9 0.8998
521 PH3 0.8998
522 OK7 0.8997
523 SX1 0.8997
524 5HN 0.8995
525 MLT 0.8995
526 DHR 0.8993
527 GUN 0.8992
528 52C 0.8992
529 PZI 0.8992
530 HH5 0.8991
531 WCE 0.8990
532 OQC 0.8990
533 1LM 0.8989
534 HX3 0.8988
535 BRT 0.8987
536 TH0 0.8987
537 BOA 0.8984
538 2AL 0.8983
539 CFF 0.8982
540 F31 0.8981
541 JU2 0.8981
542 GOJ 0.8980
543 LNR 0.8980
544 2QC 0.8979
545 6GU 0.8977
546 YH7 0.8976
547 THA 0.8975
548 TSU 0.8974
549 NCA 0.8974
550 N91 0.8973
551 HLZ 0.8973
552 2HC 0.8972
553 7MX 0.8972
554 3BZ 0.8971
555 DGJ 0.8971
556 M0W 0.8970
557 ANC 0.8968
558 SAN 0.8967
559 2F6 0.8966
560 24B 0.8965
561 F2W 0.8963
562 6AP 0.8963
563 AHR 0.8963
564 TIY 0.8962
565 BEZ 0.8962
566 FCR 0.8961
567 5MK 0.8961
568 SKM 0.8961
569 4XH 0.8959
570 DX4 0.8959
571 A2F 0.8959
572 3VX 0.8958
573 H5B 0.8958
574 141 0.8958
575 Z5P 0.8956
576 6PC 0.8956
577 HH8 0.8954
578 7B3 0.8954
579 14J 0.8954
580 ZZT 0.8954
581 0CU 0.8953
582 7ME 0.8953
583 BK9 0.8952
584 BAM 0.8951
585 30G 0.8950
586 EKZ 0.8949
587 9FE 0.8949
588 9KT 0.8949
589 ASC 0.8948
590 BEN 0.8947
591 4SV 0.8947
592 3WA 0.8947
593 PAC 0.8947
594 2CQ 0.8946
595 IGA 0.8946
596 PHE 0.8945
597 BCP 0.8944
598 AC0 0.8944
599 4SX 0.8944
600 M1H 0.8944
601 PQK 0.8944
602 C9E 0.8942
603 CFP 0.8942
604 AAS 0.8941
605 VNL 0.8940
606 XYP 0.8940
607 5NE 0.8939
608 BE2 0.8938
609 9TZ 0.8938
610 1L5 0.8938
611 3DO 0.8937
612 B56 0.8936
613 FAN 0.8936
614 RD4 0.8936
615 3U4 0.8935
616 KMY 0.8935
617 NMJ 0.8932
618 RMN 0.8932
619 S0E 0.8930
620 XBT 0.8930
621 4FH 0.8929
622 4J8 0.8928
623 RA7 0.8926
624 DBX 0.8924
625 KBZ 0.8924
626 DYA 0.8924
627 R20 0.8923
628 DPZ 0.8921
629 3BU 0.8920
630 DEN 0.8920
631 268 0.8919
632 DEE 0.8919
633 YCP 0.8919
634 BZJ 0.8918
635 SRO 0.8918
636 JXN 0.8917
637 AEF 0.8917
638 4LW 0.8916
639 EVA 0.8916
640 PPY 0.8915
641 3FH 0.8915
642 M3H 0.8911
643 NBZ 0.8911
644 8NB 0.8910
645 3IT 0.8910
646 DHK 0.8910
647 D07 0.8908
648 Q6T 0.8908
649 SRT 0.8907
650 PHH 0.8907
651 H8N 0.8907
652 36E 0.8907
653 AL0 0.8907
654 82I 0.8906
655 6CS 0.8906
656 G6D 0.8905
657 LI6 0.8904
658 NIO 0.8904
659 3R6 0.8904
660 MAJ 0.8903
661 PBC 0.8902
662 UNU 0.8900
663 LXC 0.8900
664 FBS 0.8899
665 PDC 0.8898
666 QIV 0.8897
667 150 0.8894
668 HMU 0.8894
669 M1E 0.8894
670 3J8 0.8893
671 JBQ 0.8893
672 AZG 0.8892
673 APG 0.8892
674 V1T 0.8891
675 SWA 0.8889
676 SOR 0.8887
677 209 0.8886
678 PD2 0.8886
679 D3G 0.8884
680 ES6 0.8884
681 OW7 0.8883
682 QSH 0.8883
683 H33 0.8881
684 F4K 0.8881
685 CTS 0.8880
686 TC7 0.8879
687 N4E 0.8879
688 GTR 0.8879
689 A7N 0.8878
690 0W1 0.8876
691 ZBT 0.8876
692 4HM 0.8874
693 M0Q 0.8873
694 GYE 0.8873
695 SS1 0.8872
696 JKE 0.8869
697 NFM 0.8868
698 XQG 0.8868
699 PRZ 0.8867
700 XDE 0.8867
701 NDM 0.8865
702 FGZ 0.8865
703 L14 0.8864
704 EUE 0.8864
705 K5W 0.8863
706 ENO 0.8863
707 IAC 0.8862
708 0NX 0.8861
709 NTN 0.8860
710 290 0.8860
711 R8S 0.8860
712 APS 0.8860
713 DHC 0.8860
714 PEA 0.8860
715 549 0.8859
716 PZA 0.8859
717 JND 0.8858
718 PXM 0.8858
719 DNF 0.8856
720 KW8 0.8856
721 OGA 0.8855
722 CN0 0.8853
723 IND 0.8852
724 LPK 0.8849
725 EYK 0.8848
726 45L 0.8847
727 Y3L 0.8846
728 FBF 0.8843
729 F4Z 0.8843
730 AMS 0.8842
731 7ZE 0.8841
732 51R 0.8840
733 UNC 0.8840
734 JBE 0.8839
735 BZI 0.8839
736 795 0.8838
737 UAN 0.8837
738 FF2 0.8835
739 4JP 0.8835
740 363 0.8834
741 BSP 0.8831
742 J9N 0.8831
743 2GS 0.8831
744 VGL 0.8830
745 4VP 0.8830
746 5WY 0.8830
747 ZEC 0.8829
748 MD6 0.8828
749 8MO 0.8828
750 EVF 0.8827
751 LZ1 0.8827
752 BZF 0.8827
753 HPS 0.8826
754 M45 0.8825
755 LGC 0.8825
756 8G0 0.8824
757 KYA 0.8824
758 Q02 0.8824
759 GLA 0.8824
760 28N 0.8822
761 IDM 0.8821
762 OA3 0.8820
763 HSO 0.8820
764 FBW 0.8818
765 25W 0.8818
766 LKA 0.8817
767 MCT 0.8816
768 ARP 0.8816
769 CXH 0.8815
770 MT0 0.8815
771 IFL 0.8814
772 M58 0.8813
773 2ZQ 0.8813
774 EQT 0.8813
775 42C 0.8812
776 S60 0.8812
777 B1J 0.8812
778 AES 0.8812
779 E3X 0.8812
780 MPI 0.8810
781 0R1 0.8808
782 PFB 0.8807
783 45C 0.8806
784 9UL 0.8806
785 2H5 0.8805
786 1MC 0.8804
787 V55 0.8804
788 E35 0.8801
789 4M4 0.8801
790 TIU 0.8801
791 SXS 0.8800
792 NDG 0.8800
793 42J 0.8799
794 HRM 0.8799
795 7NI 0.8799
796 GVY 0.8797
797 HKD 0.8796
798 PYD 0.8796
799 RHU 0.8795
800 DIU 0.8792
801 4JM 0.8792
802 HA7 0.8792
803 DPT 0.8790
804 4HO 0.8789
805 5MH 0.8788
806 SHG 0.8788
807 UFV 0.8788
808 1WC 0.8788
809 4KL 0.8787
810 JZ3 0.8786
811 3OC 0.8785
812 X48 0.8785
813 XBZ 0.8785
814 IUR 0.8783
815 URF 0.8783
816 6M1 0.8783
817 ONR 0.8783
818 WOO 0.8782
819 GVH 0.8782
820 TEP 0.8781
821 PO6 0.8780
822 495 0.8779
823 GRE 0.8779
824 S7J 0.8778
825 3AE 0.8778
826 DBJ 0.8777
827 FP1 0.8777
828 JF1 0.8776
829 61M 0.8776
830 NF3 0.8776
831 N2Z 0.8775
832 JF2 0.8775
833 FQX 0.8773
834 43M 0.8773
835 NGA 0.8773
836 C2B 0.8773
837 YZM 0.8773
838 X0W 0.8772
839 MZG 0.8771
840 SKF 0.8770
841 XRG 0.8770
842 6E8 0.8769
843 261 0.8769
844 4XV 0.8768
845 1WD 0.8767
846 1U6 0.8767
847 BGU 0.8766
848 EXD 0.8766
849 0CT 0.8766
850 GO8 0.8765
851 39A 0.8764
852 K32 0.8764
853 6F0 0.8763
854 X11 0.8763
855 LDR 0.8761
856 NDD 0.8761
857 LMR 0.8760
858 K22 0.8760
859 QMP 0.8760
860 7WV 0.8760
861 X05 0.8760
862 YPN 0.8758
863 23J 0.8758
864 F1A 0.8756
865 ALL 0.8755
866 GLO 0.8755
867 36M 0.8755
868 5UC 0.8754
869 TAG 0.8752
870 MWJ 0.8752
871 G2F 0.8752
872 2FX 0.8752
873 KIB 0.8751
874 7O4 0.8751
875 AKH 0.8750
876 4JO 0.8750
877 23A 0.8749
878 K82 0.8749
879 4VY 0.8748
880 XYD 0.8747
881 149 0.8747
882 ALE 0.8746
883 JZ2 0.8746
884 TDR 0.8745
885 NOY 0.8745
886 3W8 0.8745
887 HPA 0.8745
888 4JJ 0.8740
889 HZQ 0.8739
890 GCB 0.8739
891 OXC 0.8738
892 GLU 0.8738
893 5JC 0.8735
894 275 0.8734
895 ORO 0.8734
896 XCZ 0.8733
897 QSC 0.8733
898 F0J 0.8732
899 LR5 0.8732
900 A2G 0.8731
901 E1K 0.8731
902 1XA 0.8731
903 2ZV 0.8727
904 27Y 0.8727
905 7VJ 0.8726
906 5NS 0.8725
907 9AP 0.8724
908 K6X 0.8721
909 MWM 0.8721
910 BNF 0.8721
911 3QM 0.8720
912 ZVO 0.8719
913 4CL 0.8719
914 2LP 0.8719
915 Q7A 0.8718
916 EUG 0.8718
917 WBU 0.8716
918 ADE 0.8716
919 RAT 0.8715
920 M78 0.8714
921 2AC 0.8714
922 QBM 0.8711
923 MAN 0.8711
924 X09 0.8710
925 4HB 0.8710
926 4ZE 0.8709
927 TMG 0.8709
928 ZZA 0.8708
929 P9E 0.8708
930 QX2 0.8707
931 CXF 0.8707
932 K17 0.8705
933 XXP 0.8705
934 GAF 0.8704
935 QUS 0.8701
936 QPR 0.8701
937 GZ2 0.8700
938 GDL 0.8700
939 QWW 0.8700
940 34A 0.8699
941 ICP 0.8698
942 GGB 0.8697
943 JUG 0.8696
944 2BX 0.8696
945 BHQ 0.8695
946 ZXD 0.8695
947 2MP 0.8695
948 BR9 0.8695
949 3VQ 0.8694
950 4XS 0.8693
951 1XN 0.8692
952 G1O 0.8691
953 K37 0.8691
954 F5B 0.8689
955 BIK 0.8689
956 VOH 0.8689
957 BTE 0.8689
958 SWD 0.8689
959 4JL 0.8689
960 4NZ 0.8688
961 2YU 0.8687
962 ODK 0.8686
963 X8D 0.8683
964 QAT 0.8683
965 ADA 0.8683
966 2FG 0.8683
967 SJ5 0.8682
968 2O6 0.8681
969 X6X 0.8681
970 JTH 0.8681
971 GM7 0.8680
972 H7Y 0.8680
973 5WZ 0.8679
974 5WX 0.8677
975 SMN 0.8676
976 JP2 0.8675
977 N1E 0.8675
978 JFJ 0.8675
979 FBV 0.8675
980 A1U 0.8673
981 3XX 0.8673
982 RAM 0.8673
983 86L 0.8672
984 5GV 0.8672
985 CKA 0.8671
986 FOT 0.8670
987 DNA 0.8670
988 FBA 0.8670
989 JXW 0.8669
990 680 0.8669
991 GJS 0.8668
992 9RW 0.8668
993 54Z 0.8668
994 EGR 0.8667
995 TBS 0.8667
996 IF7 0.8667
997 C2U 0.8667
998 IT2 0.8667
999 B85 0.8667
1000 BBK 0.8666
1001 3VS 0.8666
1002 9NB 0.8666
1003 ITE 0.8665
1004 091 0.8665
1005 1DV 0.8663
1006 0R0 0.8663
1007 KGK 0.8663
1008 IDH 0.8663
1009 WSD 0.8663
1010 HJP 0.8662
1011 LZ2 0.8659
1012 IJZ 0.8659
1013 XCG 0.8659
1014 RB5 0.8658
1015 1SA 0.8658
1016 AX3 0.8658
1017 FA1 0.8656
1018 10L 0.8653
1019 AY4 0.8653
1020 TLD 0.8652
1021 HCI 0.8652
1022 MNM 0.8651
1023 EE8 0.8649
1024 GGL 0.8649
1025 UEG 0.8648
1026 M6Z 0.8647
1027 FUL 0.8643
1028 OKG 0.8642
1029 JZ9 0.8640
1030 4ZC 0.8640
1031 PA1 0.8638
1032 8K2 0.8638
1033 VNJ 0.8636
1034 BP1 0.8635
1035 6MP 0.8635
1036 HHH 0.8635
1037 PRL 0.8634
1038 IOS 0.8634
1039 9DA 0.8633
1040 E3D 0.8632
1041 FK8 0.8629
1042 DA4 0.8627
1043 SJK 0.8627
1044 9HX 0.8625
1045 HT4 0.8625
1046 7MW 0.8625
1047 RUY 0.8625
1048 1P3 0.8624
1049 PFL 0.8624
1050 FLV 0.8623
1051 226 0.8623
1052 QY9 0.8621
1053 L3Q 0.8619
1054 SME 0.8619
1055 4CM 0.8615
1056 537 0.8611
1057 K4V 0.8611
1058 XIZ 0.8611
1059 BNT 0.8609
1060 TXW 0.8608
1061 92G 0.8607
1062 HNK 0.8607
1063 N2M 0.8607
1064 LSA 0.8606
1065 QAS 0.8605
1066 QOS 0.8604
1067 AP4 0.8601
1068 7WA 0.8601
1069 TM7 0.8600
1070 6BL 0.8599
1071 SYA 0.8599
1072 0FR 0.8596
1073 I6G 0.8592
1074 PX7 0.8584
1075 GJZ 0.8583
1076 7HP 0.8581
1077 HHT 0.8580
1078 492 0.8580
1079 JXZ 0.8579
1080 AZM 0.8579
1081 C53 0.8578
1082 M1Z 0.8577
1083 7WG 0.8576
1084 Y8I 0.8573
1085 FBT 0.8572
1086 12B 0.8571
1087 P3K 0.8570
1088 F12 0.8566
1089 3SL 0.8561
1090 K44 0.8559
1091 I2E 0.8559
1092 ES4 0.8557
1093 0TR 0.8556
1094 DOR 0.8555
1095 DVQ 0.8549
1096 N3W 0.8549
1097 BQ2 0.8547
1098 AW5 0.8545
1099 JFD 0.8544
1100 JRB 0.8531
1101 293 0.8525
1102 A09 0.8523
1103 DDU 0.8514
1104 7N0 0.8511
1105 6X9 0.8510
1106 0LH 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5WB6; Ligand: 9ZM; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5wb6.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 1NFU RRP 49.5902
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