Receptor
PDB id Resolution Class Description Source Keywords
4CR9 1.7 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:1492;
A:1494;
A:1491;
A:1490;
A:1493;
A:1495;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
OTW A:1489;
Valid;
none;
Ki = 80 uM
173.214 C10 H11 N3 Cc1cc...
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: OTW; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OTW 1 1
2 M5K 0.456522 0.92
Similar Ligands (3D)
Ligand no: 1; Ligand: OTW; Similar ligands found: 1113
No: Ligand Similarity coefficient
1 XHP 1.0000
2 0FO 1.0000
3 B62 0.9997
4 MVN 0.9995
5 QX4 0.9984
6 DQU 0.9982
7 44W 0.9981
8 6ME 0.9968
9 44V 0.9910
10 PH2 0.9906
11 QBK 0.9840
12 XAZ 0.9801
13 PE0 0.9790
14 AJ2 0.9789
15 M6N 0.9776
16 0P6 0.9772
17 2FQ 0.9772
18 AQO 0.9753
19 CWS 0.9749
20 Q24 0.9747
21 URC 0.9743
22 MQN 0.9733
23 MUA 0.9732
24 J9W 0.9731
25 8CM 0.9727
26 HHR 0.9721
27 KUF 0.9720
28 4JQ 0.9716
29 MEW 0.9713
30 2AK 0.9713
31 0TU 0.9704
32 CLZ 0.9700
33 4HC 0.9698
34 M1Q 0.9689
35 PRF 0.9676
36 BTY 0.9668
37 AZ8 0.9668
38 FDR 0.9655
39 B55 0.9640
40 9R5 0.9636
41 4YO 0.9623
42 8TX 0.9614
43 86J 0.9592
44 5JQ 0.9591
45 75K 0.9585
46 20J 0.9581
47 0N7 0.9578
48 KT7 0.9577
49 BEA 0.9574
50 DRL 0.9570
51 N8Y 0.9565
52 3Z8 0.9561
53 6VD 0.9550
54 2HQ 0.9549
55 NQ 0.9548
56 RXA 0.9546
57 HQD 0.9544
58 APZ 0.9541
59 2D0 0.9541
60 AZ9 0.9534
61 5JL 0.9533
62 VK3 0.9526
63 TGX 0.9520
64 B5D 0.9519
65 B60 0.9519
66 2K8 0.9519
67 INE 0.9514
68 COU 0.9513
69 Q71 0.9513
70 8IG 0.9511
71 NID 0.9507
72 MAQ 0.9498
73 BGC 0.9498
74 OCH 0.9486
75 K2T 0.9485
76 9DG 0.9484
77 D07 0.9482
78 TWO 0.9481
79 FBB 0.9478
80 MO8 0.9478
81 H42 0.9478
82 5QY 0.9478
83 PQ0 0.9475
84 G3E 0.9475
85 4MU 0.9474
86 8WO 0.9473
87 2AQ 0.9465
88 TTL 0.9462
89 UFO 0.9461
90 AJV 0.9457
91 PYQ 0.9457
92 FDB 0.9452
93 AZA 0.9442
94 4ME 0.9442
95 03V 0.9439
96 ISN 0.9432
97 D48 0.9432
98 HHS 0.9431
99 IGA 0.9425
100 DIN 0.9417
101 XQ0 0.9415
102 4FS 0.9414
103 3QV 0.9414
104 ZYR 0.9412
105 Q77 0.9411
106 JB5 0.9409
107 GUN 0.9408
108 3PF 0.9406
109 4M0 0.9403
110 SE2 0.9402
111 GXY 0.9401
112 FA0 0.9399
113 15E 0.9397
114 1SQ 0.9396
115 DOB 0.9395
116 J5I 0.9390
117 XAN 0.9390
118 4TU 0.9388
119 ES5 0.9388
120 MRW 0.9387
121 DX3 0.9387
122 2EC 0.9387
123 GCS 0.9387
124 KKN 0.9385
125 92K 0.9381
126 A7W 0.9380
127 CH9 0.9380
128 12Q 0.9379
129 N2I 0.9379
130 TT4 0.9378
131 3HA 0.9372
132 YH7 0.9371
133 1LM 0.9370
134 0W8 0.9369
135 ES1 0.9368
136 E7Z 0.9366
137 36R 0.9366
138 1NP 0.9364
139 24W 0.9364
140 3F0 0.9363
141 BHA 0.9361
142 7W1 0.9359
143 B53 0.9358
144 KJH 0.9357
145 9KT 0.9356
146 IV2 0.9356
147 9MG 0.9356
148 BDP 0.9356
149 G3F 0.9356
150 7W4 0.9355
151 ES7 0.9355
152 1LQ 0.9354
153 VNL 0.9353
154 5Q0 0.9352
155 5RO 0.9352
156 0FK 0.9351
157 5QX 0.9349
158 CLW 0.9349
159 JG8 0.9349
160 8WT 0.9349
161 CFP 0.9347
162 A2F 0.9347
163 JBH 0.9346
164 H5B 0.9345
165 DX4 0.9343
166 BOA 0.9343
167 UNC 0.9343
168 VXX 0.9343
169 4Z4 0.9342
170 5VM 0.9342
171 5SG 0.9341
172 BCP 0.9341
173 6GU 0.9340
174 LT2 0.9340
175 5CU 0.9339
176 HJP 0.9339
177 5WV 0.9337
178 5IQ 0.9335
179 Z5P 0.9333
180 CWM 0.9332
181 GLC 0.9332
182 ET2 0.9329
183 HQT 0.9329
184 4YS 0.9328
185 1XM 0.9328
186 DBH 0.9328
187 JBK 0.9328
188 209 0.9328
189 8MO 0.9328
190 HQY 0.9327
191 ADZ 0.9327
192 8NX 0.9325
193 LI6 0.9324
194 DPZ 0.9324
195 1P7 0.9324
196 J9T 0.9322
197 BPU 0.9322
198 290 0.9321
199 NDM 0.9320
200 JPZ 0.9319
201 2A9 0.9318
202 94W 0.9317
203 CTL 0.9317
204 8S0 0.9316
205 ES0 0.9315
206 KJY 0.9314
207 EA1 0.9313
208 6AP 0.9313
209 3M0 0.9312
210 RM1 0.9311
211 FOT 0.9310
212 TOF 0.9308
213 7VS 0.9308
214 2ZQ 0.9307
215 N5J 0.9307
216 141 0.9307
217 PEY 0.9307
218 MS9 0.9307
219 2KA 0.9306
220 6NT 0.9306
221 KIB 0.9304
222 Q88 0.9303
223 HH8 0.9303
224 VGD 0.9302
225 ES2 0.9298
226 ROI 0.9298
227 4XH 0.9298
228 5NU 0.9297
229 KDV 0.9297
230 7B4 0.9297
231 FE DB1 0.9296
232 1P8 0.9295
233 V55 0.9294
234 4M4 0.9294
235 ZZZ 0.9290
236 PXL 0.9289
237 CWJ 0.9287
238 H33 0.9287
239 0XT 0.9286
240 KIA 0.9284
241 AA 0.9284
242 7ME 0.9283
243 QPR 0.9281
244 7ZE 0.9280
245 4JT 0.9280
246 Q6T 0.9279
247 2AL 0.9277
248 2F6 0.9277
249 5WY 0.9276
250 32X 0.9275
251 344 0.9272
252 4RU 0.9271
253 GJP 0.9271
254 HH5 0.9269
255 9FL 0.9267
256 3DM 0.9264
257 8HC 0.9263
258 LDR 0.9262
259 7MU 0.9261
260 AZG 0.9259
261 2LY 0.9258
262 1HN 0.9257
263 B57 0.9257
264 R8V 0.9257
265 52C 0.9256
266 KYA 0.9251
267 ESI 0.9250
268 AJY 0.9249
269 8ZE 0.9249
270 I3A 0.9248
271 0FN 0.9246
272 7HQ 0.9242
273 IJZ 0.9241
274 TTY 0.9240
275 680 0.9239
276 7B3 0.9236
277 3ID 0.9236
278 A29 0.9235
279 8W9 0.9234
280 3NY 0.9233
281 HMH 0.9233
282 5NE 0.9233
283 GZL 0.9233
284 E7S 0.9233
285 ZVO 0.9232
286 2FY 0.9231
287 0CU 0.9230
288 M2K 0.9230
289 42C 0.9228
290 KJU 0.9227
291 2ZM 0.9226
292 39O 0.9226
293 92P 0.9224
294 5RN 0.9224
295 JBQ 0.9222
296 1F1 0.9220
297 ORO 0.9220
298 N0Z 0.9217
299 DHQ 0.9215
300 2HU 0.9214
301 ODO 0.9214
302 3IT 0.9213
303 9AP 0.9212
304 SKA 0.9212
305 X8D 0.9211
306 7NI 0.9211
307 HHA 0.9210
308 0HN 0.9210
309 12T 0.9209
310 BZ3 0.9209
311 J6W 0.9205
312 F0J 0.9204
313 NAG 0.9203
314 6RQ 0.9202
315 ICO 0.9202
316 5OB 0.9202
317 0HO 0.9201
318 DMD 0.9201
319 6NI 0.9200
320 C2Y 0.9199
321 9CA 0.9199
322 8H8 0.9197
323 AKH 0.9196
324 37T 0.9195
325 ANF 0.9192
326 3MB 0.9191
327 NDH 0.9191
328 069 0.9191
329 GDE 0.9191
330 4AA 0.9188
331 C2U 0.9186
332 27B 0.9185
333 5B1 0.9184
334 12B 0.9183
335 MT0 0.9183
336 CFF 0.9182
337 5NI 0.9180
338 HKD 0.9180
339 FYU 0.9179
340 5XC 0.9179
341 4NC 0.9178
342 3WA 0.9176
343 HLZ 0.9175
344 TH7 0.9175
345 EN1 0.9175
346 Q7A 0.9174
347 OXC 0.9173
348 GVG 0.9173
349 1IT 0.9172
350 14O 0.9171
351 I6G 0.9170
352 OVM 0.9169
353 UAN 0.9169
354 B56 0.9168
355 1XN 0.9168
356 15N 0.9166
357 SYV 0.9163
358 DRG 0.9163
359 4KL 0.9162
360 THA 0.9161
361 495 0.9158
362 DIU 0.9158
363 3A9 0.9156
364 NOJ 0.9155
365 67N 0.9154
366 ABI 0.9153
367 TEP 0.9153
368 SXS 0.9150
369 PXM 0.9150
370 0JD 0.9150
371 DHB 0.9149
372 GAL 0.9148
373 JU2 0.9147
374 4A3 0.9146
375 UEG 0.9146
376 PDC 0.9145
377 PX7 0.9144
378 GJS 0.9143
379 GM7 0.9143
380 XIY 0.9143
381 SYA 0.9142
382 BZJ 0.9141
383 QAS 0.9140
384 BZX 0.9140
385 INO 0.9140
386 173 0.9140
387 PJW 0.9140
388 5H1 0.9139
389 F60 0.9138
390 JLZ 0.9137
391 6BL 0.9135
392 7VJ 0.9135
393 TIY 0.9132
394 TYL 0.9132
395 1M2 0.9131
396 M1A 0.9130
397 DBJ 0.9130
398 DHK 0.9129
399 E1T 0.9126
400 6AI 0.9126
401 KTW 0.9125
402 3HM 0.9124
403 GZ8 0.9122
404 5MI 0.9122
405 LZM 0.9122
406 HQJ 0.9122
407 CTS 0.9121
408 NNO 0.9120
409 4VS 0.9120
410 4CS 0.9120
411 8XL 0.9118
412 2BG 0.9117
413 93K 0.9117
414 F9Y 0.9116
415 FHB 0.9112
416 XX2 0.9110
417 2HO 0.9110
418 5VL 0.9110
419 VOH 0.9109
420 42A 0.9107
421 NDG 0.9107
422 5NS 0.9106
423 5GU 0.9105
424 GTQ 0.9105
425 ABV 0.9104
426 OW4 0.9104
427 1KP 0.9103
428 HIS 0.9103
429 HZQ 0.9101
430 M0Q 0.9101
431 5RG 0.9101
432 EQT 0.9100
433 MR1 0.9100
434 SHG 0.9099
435 11S 0.9098
436 2K4 0.9097
437 DNA 0.9097
438 MYJ 0.9095
439 AN3 0.9095
440 6KT 0.9094
441 0F9 0.9094
442 JND 0.9093
443 34D 0.9092
444 FK1 0.9092
445 GAB 0.9092
446 AX3 0.9092
447 M0W 0.9091
448 3NT 0.9090
449 G5V 0.9089
450 15L 0.9089
451 JTH 0.9088
452 DOR 0.9088
453 JB8 0.9086
454 QAT 0.9086
455 6M9 0.9086
456 4BY 0.9084
457 O72 0.9083
458 5MB 0.9082
459 W81 0.9082
460 3HB 0.9081
461 OA3 0.9080
462 NPY 0.9080
463 QUZ 0.9078
464 BPY 0.9077
465 ES9 0.9074
466 MWP 0.9074
467 SKM 0.9072
468 428 0.9072
469 JAE 0.9071
470 JDN 0.9070
471 H4N 0.9070
472 PRZ 0.9070
473 DNF 0.9069
474 NSP 0.9069
475 SVN 0.9069
476 AW5 0.9067
477 8XQ 0.9067
478 DEE 0.9065
479 K3Q 0.9065
480 F12 0.9064
481 SOE 0.9063
482 M1H 0.9062
483 9ZE 0.9061
484 LGC 0.9061
485 30G 0.9060
486 JXW 0.9059
487 LSA 0.9057
488 SOR 0.9057
489 C9E 0.9056
490 E5X 0.9056
491 HMU 0.9055
492 4BL 0.9054
493 P9P 0.9053
494 JAW 0.9053
495 JUG 0.9051
496 EV0 0.9049
497 FLV 0.9048
498 4BZ 0.9048
499 BCU 0.9047
500 K32 0.9047
501 WCE 0.9047
502 AX7 0.9046
503 G6D 0.9046
504 HA5 0.9045
505 PFB 0.9043
506 GCU 0.9043
507 SWA 0.9042
508 5M0 0.9041
509 GNM 0.9041
510 IPB 0.9040
511 SRO 0.9040
512 0W1 0.9040
513 UNJ 0.9040
514 KTJ 0.9040
515 68A 0.9039
516 6CS 0.9036
517 5WX 0.9032
518 54G 0.9031
519 BZ2 0.9030
520 ZZT 0.9027
521 CHB 0.9026
522 CFI 0.9026
523 7WR 0.9025
524 PHH 0.9024
525 82I 0.9024
526 7MX 0.9024
527 F2W 0.9024
528 3FH 0.9024
529 CK2 0.9023
530 K22 0.9023
531 EJZ 0.9022
532 OVV 0.9022
533 3J8 0.9020
534 G1O 0.9020
535 226 0.9020
536 ISZ 0.9020
537 GTR 0.9020
538 R9Y 0.9020
539 HLD 0.9018
540 F05 0.9018
541 TSS 0.9018
542 3MG 0.9018
543 9TW 0.9017
544 SWD 0.9017
545 YQA 0.9017
546 97T 0.9015
547 JYB 0.9015
548 D1X 0.9012
549 K5W 0.9011
550 2H5 0.9010
551 LKA 0.9010
552 FBG 0.9009
553 P92 0.9008
554 HNQ 0.9005
555 PNZ 0.9005
556 3AB 0.9004
557 4P5 0.9004
558 J9Q 0.9003
559 BK9 0.9002
560 GHM 0.9000
561 5HN 0.9000
562 8GC 0.8999
563 25W 0.8999
564 2MI 0.8998
565 0RW 0.8998
566 8NY 0.8997
567 F31 0.8995
568 NTZ 0.8992
569 9EW 0.8991
570 NGA 0.8990
571 ANN 0.8989
572 QXW 0.8989
573 QWN 0.8987
574 3ZB 0.8987
575 HA7 0.8986
576 BHO 0.8982
577 ESP 0.8982
578 BRT 0.8981
579 SX1 0.8979
580 X0W 0.8979
581 OQC 0.8978
582 ONR 0.8975
583 NCT 0.8974
584 XM0 0.8973
585 EVA 0.8973
586 ICB 0.8972
587 ZZ8 0.8971
588 270 0.8971
589 V1T 0.8971
590 NIZ 0.8971
591 JXN 0.8971
592 L5V 0.8970
593 4FA 0.8970
594 5TY 0.8968
595 E35 0.8968
596 24B 0.8968
597 39A 0.8966
598 HPA 0.8966
599 M5N 0.8964
600 DNC 0.8963
601 FGZ 0.8962
602 G12 0.8962
603 GF4 0.8962
604 6M4 0.8959
605 IHB 0.8958
606 SAL 0.8958
607 BTE 0.8956
608 53C 0.8956
609 MSR 0.8956
610 L22 0.8955
611 HLR 0.8954
612 JF1 0.8954
613 NPO 0.8954
614 54X 0.8954
615 4V2 0.8953
616 5MK 0.8953
617 X0U 0.8953
618 CKA 0.8951
619 PD2 0.8950
620 LDP 0.8950
621 6QF 0.8949
622 XXR 0.8947
623 1QP 0.8946
624 1WG 0.8945
625 PHB 0.8945
626 EOL 0.8944
627 4XV 0.8944
628 6TZ 0.8943
629 EUG 0.8942
630 AY4 0.8942
631 3BZ 0.8941
632 X05 0.8940
633 18N 0.8940
634 28N 0.8940
635 6FZ 0.8938
636 ADE 0.8935
637 6M1 0.8935
638 ESX 0.8933
639 ASO 0.8932
640 ASC 0.8930
641 GYE 0.8929
642 K37 0.8928
643 6MP 0.8927
644 GRE 0.8927
645 F6P 0.8927
646 BP1 0.8926
647 SHA 0.8926
648 HX3 0.8925
649 PAB 0.8925
650 23A 0.8924
651 2FG 0.8923
652 A13 0.8922
653 I3E 0.8922
654 AHR 0.8921
655 X09 0.8920
656 J9N 0.8919
657 4WL 0.8919
658 2CK 0.8918
659 M4E 0.8918
660 0GZ 0.8917
661 7WV 0.8917
662 8OZ 0.8917
663 10L 0.8916
664 XYP 0.8916
665 5WU 0.8914
666 BE2 0.8914
667 1DW 0.8914
668 QQQ 0.8913
669 9UL 0.8913
670 4SV 0.8912
671 4V6 0.8911
672 KFH 0.8909
673 537 0.8909
674 JF2 0.8908
675 6E8 0.8908
676 261 0.8907
677 E1K 0.8905
678 XQG 0.8904
679 293 0.8904
680 8G0 0.8903
681 F4E 0.8903
682 JR2 0.8903
683 GLA 0.8903
684 9TZ 0.8901
685 EGR 0.8901
686 TBS 0.8898
687 4I8 0.8896
688 PBA 0.8896
689 FHC 0.8892
690 ALL 0.8892
691 ARP 0.8892
692 PZI 0.8891
693 YSO 0.8890
694 H7Y 0.8890
695 46P 0.8888
696 IWT 0.8888
697 WOO 0.8888
698 2CQ 0.8888
699 CPZ 0.8888
700 7WA 0.8887
701 ES4 0.8887
702 SLS 0.8886
703 HBO 0.8885
704 RMN 0.8884
705 EXD 0.8883
706 3U4 0.8882
707 2HC 0.8881
708 APS 0.8881
709 LZ2 0.8880
710 IFP 0.8880
711 N7I 0.8880
712 F1A 0.8879
713 DGJ 0.8879
714 JKE 0.8878
715 PM6 0.8875
716 1A7 0.8874
717 FP1 0.8873
718 K17 0.8872
719 KMY 0.8872
720 FBU 0.8869
721 ANC 0.8867
722 GDL 0.8867
723 3GQ 0.8865
724 4HM 0.8865
725 4AN 0.8864
726 X0V 0.8864
727 149 0.8864
728 9DA 0.8863
729 9FE 0.8862
730 1WD 0.8861
731 9HX 0.8860
732 GCB 0.8858
733 XM5 0.8858
734 MVL 0.8858
735 1X7 0.8857
736 MAN 0.8857
737 K82 0.8856
738 6F0 0.8853
739 A7H 0.8853
740 PHE 0.8853
741 PIY 0.8853
742 4XR 0.8853
743 ES6 0.8852
744 SNU 0.8852
745 SNO 0.8852
746 HBD 0.8851
747 G2F 0.8851
748 DBX 0.8849
749 TXW 0.8849
750 3DO 0.8847
751 PFL 0.8847
752 QX2 0.8846
753 64C 0.8845
754 PBZ 0.8845
755 NTM 0.8845
756 S76 0.8843
757 4XS 0.8842
758 PHU 0.8842
759 091 0.8841
760 5VJ 0.8841
761 549 0.8838
762 7HP 0.8837
763 BMA 0.8837
764 R20 0.8837
765 GIV 0.8837
766 WSD 0.8837
767 BA5 0.8836
768 2ZV 0.8835
769 PHT 0.8835
770 1Y6 0.8834
771 AC6 0.8833
772 150 0.8832
773 4MA 0.8832
774 OTD 0.8832
775 HNT 0.8831
776 UFV 0.8831
777 BPN 0.8830
778 Z82 0.8829
779 GIO 0.8829
780 PQK 0.8829
781 3R4 0.8825
782 826 0.8825
783 KOJ 0.8823
784 HHT 0.8820
785 DPT 0.8820
786 F5B 0.8819
787 NGO 0.8819
788 4SX 0.8819
789 M1E 0.8818
790 2GS 0.8817
791 1WC 0.8817
792 K6X 0.8816
793 TPA 0.8816
794 4ZA 0.8815
795 MOK 0.8815
796 AP4 0.8814
797 1U6 0.8814
798 49O 0.8813
799 A2G 0.8812
800 QWW 0.8810
801 FBM 0.8810
802 EXO 0.8810
803 B2J 0.8809
804 F81 0.8808
805 GO2 0.8806
806 174 0.8805
807 IAC 0.8805
808 OVP 0.8804
809 582 0.8802
810 XXP 0.8801
811 RD4 0.8801
812 NSG 0.8800
813 1GN 0.8800
814 FUD 0.8800
815 NVU 0.8800
816 3Z7 0.8798
817 NMJ 0.8798
818 P72 0.8797
819 LQ2 0.8796
820 5LA 0.8794
821 MPV 0.8793
822 SG2 0.8792
823 S60 0.8792
824 J01 0.8791
825 P3K 0.8791
826 MJ2 0.8788
827 EKZ 0.8787
828 IFL 0.8786
829 CN0 0.8786
830 QSB 0.8785
831 F4Z 0.8785
832 8NB 0.8785
833 6FB 0.8784
834 NLA 0.8784
835 MAJ 0.8784
836 0BP 0.8782
837 717 0.8781
838 EMZ 0.8780
839 MHK 0.8780
840 7FF 0.8779
841 NGT 0.8779
842 TC7 0.8779
843 GCV 0.8778
844 45L 0.8777
845 329 0.8777
846 7I2 0.8777
847 PYD 0.8776
848 GV9 0.8774
849 JA8 0.8774
850 GOX 0.8774
851 KJ5 0.8774
852 EYK 0.8773
853 K44 0.8773
854 JBE 0.8773
855 AIN 0.8773
856 51R 0.8772
857 3RK 0.8772
858 HX4 0.8771
859 3VX 0.8770
860 ZZ3 0.8770
861 1Z6 0.8770
862 LNR 0.8770
863 4NB 0.8769
864 XDE 0.8769
865 GAF 0.8768
866 FBW 0.8768
867 L99 0.8767
868 YRL 0.8765
869 S0E 0.8763
870 RNO 0.8761
871 RAM 0.8761
872 3R6 0.8759
873 ADA 0.8758
874 45C 0.8755
875 OMD 0.8752
876 PIM 0.8751
877 06B 0.8750
878 K25 0.8748
879 JKZ 0.8746
880 4NM 0.8745
881 H6B 0.8744
882 NGW 0.8743
883 259 0.8741
884 OTR 0.8740
885 F69 0.8736
886 67X 0.8735
887 JFJ 0.8735
888 RHU 0.8734
889 363 0.8732
890 TH0 0.8732
891 GOG 0.8731
892 K34 0.8731
893 1XA 0.8731
894 7VP 0.8730
895 MBG 0.8730
896 F9P 0.8730
897 INS 0.8730
898 BSP 0.8729
899 1L5 0.8729
900 FAN 0.8725
901 4NO 0.8725
902 A5E 0.8724
903 BGU 0.8724
904 H4E 0.8723
905 R8S 0.8723
906 GLY PRO 0.8722
907 3OC 0.8721
908 SW7 0.8720
909 TZF 0.8719
910 RPQ 0.8717
911 NOY 0.8717
912 AEZ 0.8717
913 BNT 0.8716
914 4FH 0.8716
915 MCT 0.8715
916 LZB 0.8715
917 GTZ 0.8715
918 GCW 0.8711
919 36Y 0.8711
920 M1Z 0.8710
921 X11 0.8710
922 43M 0.8710
923 IUP 0.8709
924 OAA 0.8709
925 GIM 0.8708
926 23J 0.8707
927 5MH 0.8705
928 FBT 0.8703
929 MT8 0.8703
930 DIE 0.8699
931 4JO 0.8696
932 6OT 0.8695
933 KBG 0.8695
934 2O6 0.8695
935 JP2 0.8694
936 N91 0.8694
937 SJ5 0.8694
938 XYD 0.8694
939 1MC 0.8694
940 A65 0.8694
941 DEN 0.8693
942 1AL 0.8692
943 BBK 0.8691
944 TDR 0.8690
945 KGK 0.8689
946 P9E 0.8689
947 8GK 0.8689
948 2MP 0.8688
949 IUR 0.8688
950 MZG 0.8687
951 GXL 0.8687
952 ADK 0.8686
953 X6X 0.8686
954 5UC 0.8685
955 4JJ 0.8685
956 MAG 0.8684
957 JZ2 0.8682
958 Q02 0.8682
959 URF 0.8681
960 39U 0.8680
961 2AC 0.8680
962 L46 0.8677
963 3MA 0.8676
964 E3D 0.8676
965 WBU 0.8675
966 XBZ 0.8675
967 OW7 0.8674
968 SN4 0.8674
969 GO8 0.8674
970 HTP 0.8674
971 M6Z 0.8672
972 DHR 0.8671
973 DHC 0.8671
974 PAC 0.8671
975 SAN 0.8671
976 4VY 0.8670
977 34A 0.8668
978 AMH 0.8668
979 4CL 0.8665
980 SJK 0.8665
981 JFD 0.8664
982 QIC 0.8664
983 FF2 0.8660
984 HBA 0.8660
985 MWJ 0.8659
986 DK1 0.8658
987 IND 0.8658
988 H62 0.8657
989 R6T 0.8657
990 KLW 0.8656
991 QIV 0.8656
992 ICP 0.8655
993 XCZ 0.8653
994 XQK 0.8652
995 AC0 0.8652
996 HFB 0.8651
997 BCF 0.8650
998 BEZ 0.8650
999 FCR 0.8648
1000 LAO 0.8648
1001 4ZE 0.8647
1002 4HO 0.8647
1003 BEN 0.8647
1004 BBF 0.8646
1005 2JK 0.8645
1006 JZ3 0.8645
1007 DA4 0.8644
1008 MWM 0.8643
1009 NIO 0.8643
1010 878 0.8642
1011 BNL 0.8642
1012 IBF 0.8642
1013 4A5 0.8642
1014 BHQ 0.8640
1015 PA1 0.8640
1016 AMG 0.8640
1017 4JP 0.8639
1018 QUS 0.8638
1019 T6C 0.8638
1020 MD6 0.8637
1021 6X9 0.8636
1022 H8N 0.8636
1023 MT5 0.8635
1024 MNM 0.8635
1025 3Y7 0.8634
1026 1P3 0.8634
1027 5CL 0.8634
1028 BR9 0.8633
1029 NCA 0.8633
1030 AEF 0.8632
1031 DQN 0.8630
1032 FB1 0.8630
1033 27Y 0.8629
1034 692 0.8629
1035 L7T 0.8628
1036 TSU 0.8628
1037 HRM 0.8628
1038 O2A 0.8627
1039 II6 0.8626
1040 60Q 0.8625
1041 N2Z 0.8624
1042 M4S 0.8623
1043 5JC 0.8622
1044 FDK 0.8621
1045 3TJ 0.8621
1046 TAG 0.8620
1047 6PC 0.8620
1048 LT8 0.8617
1049 EE8 0.8617
1050 BZI 0.8617
1051 SYR 0.8616
1052 GTL 0.8612
1053 BAM 0.8612
1054 NBZ 0.8612
1055 4ZC 0.8611
1056 ZWZ 0.8610
1057 14J 0.8607
1058 9LI 0.8606
1059 2MN 0.8604
1060 TLD 0.8604
1061 A1U 0.8602
1062 GNV 0.8601
1063 GLT 0.8599
1064 PBC 0.8597
1065 505 0.8595
1066 G4D 0.8595
1067 DMJ 0.8594
1068 0FR 0.8594
1069 MPI 0.8593
1070 BZF 0.8593
1071 MNS 0.8590
1072 GSY 0.8588
1073 3SK 0.8588
1074 UNU 0.8587
1075 GVH 0.8586
1076 TM7 0.8584
1077 TIU 0.8584
1078 42J 0.8583
1079 SKF 0.8583
1080 JBZ 0.8582
1081 LZ1 0.8582
1082 3AL 0.8580
1083 54Z 0.8580
1084 AAS 0.8579
1085 0R0 0.8578
1086 36E 0.8576
1087 3BU 0.8576
1088 64E 0.8575
1089 EUE 0.8574
1090 2YU 0.8574
1091 VNJ 0.8572
1092 795 0.8571
1093 FBV 0.8570
1094 UQ 0.8569
1095 ZXD 0.8568
1096 HT4 0.8568
1097 IF7 0.8562
1098 IDM 0.8561
1099 0LH 0.8560
1100 0R1 0.8559
1101 KIF 0.8551
1102 2QC 0.8550
1103 FQI 0.8548
1104 PPY 0.8547
1105 DE5 0.8544
1106 HBI 0.8531
1107 MXX 0.8527
1108 VM1 0.8521
1109 Y8I 0.8521
1110 JRB 0.8520
1111 BIO 0.8516
1112 VGL 0.8516
1113 F3B 0.8512
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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