Receptor
PDB id Resolution Class Description Source Keywords
1ZHM 1.96 Å EC: 3.4.21.27 CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THE COAGULATION FACTOR XIA IN COMPLEX WITH BENZAMIDINE (S434A- T 475A-K437 MUTANT) HOMO SAPIENS FACTOR XI; BENZAMIDINE HYDROLASE BLOOD CLOTTING
Ref.: MUTATION OF SURFACE RESIDUES TO PROMOTE CRYSTALLIZATION OF ACTIVATED FACTOR XI AS A COMPLEX WITH BENZAMIDINE: AN ESSENTIAL STEP FOR THE ITERATIVE STRUCTURE-BASED DESIGN OF FACTOR XI INHIBITORS. ACTA CRYSTALLOGR.,SECT.D V. 61 1418 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEN A:1001;
Valid;
none;
submit data
120.152 C7 H8 N2 [H]/N...
GSH A:1002;
Invalid;
none;
submit data
307.323 C10 H17 N3 O6 S C(CC(...
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: BEN; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 BEN 1 1
2 BAM 0.52 0.941176
3 NTN 0.481481 0.8
4 P72 0.413793 0.695652
Similar Ligands (3D)
Ligand no: 1; Ligand: BEN; Similar ligands found: 1302
No: Ligand Similarity coefficient
1 6PC 1.0000
2 BEZ 1.0000
3 BNS 1.0000
4 UNU 1.0000
5 NCA 1.0000
6 NIO 1.0000
7 PBC 1.0000
8 AC0 1.0000
9 YCP 1.0000
10 QSC 1.0000
11 M58 1.0000
12 BE7 1.0000
13 PZA 1.0000
14 SS1 1.0000
15 NBZ 1.0000
16 VGL 1.0000
17 JZ7 1.0000
18 URQ 1.0000
19 MMZ 1.0000
20 SS2 0.9977
21 C21 0.9951
22 IND 0.9948
23 IT2 0.9946
24 TP5 0.9940
25 PRO 0.9938
26 265 0.9938
27 DEN 0.9934
28 LZ1 0.9928
29 FOA 0.9927
30 AMC 0.9922
31 BZI 0.9918
32 PYC 0.9911
33 0R1 0.9908
34 TZC 0.9902
35 IDM 0.9902
36 JBN 0.9899
37 BZF 0.9896
38 MPI 0.9893
39 2PC 0.9892
40 GVH 0.9890
41 4JP 0.9886
42 273 0.9885
43 SMV 0.9878
44 GAG 0.9868
45 RSO 0.9866
46 MRZ 0.9844
47 NPY 0.9842
48 QUZ 0.9842
49 NPO 0.9837
50 ABN 0.9836
51 CFI 0.9829
52 PHB 0.9828
53 DPR 0.9824
54 5AC 0.9824
55 GBD 0.9821
56 JAB 0.9819
57 0CT 0.9812
58 BHO 0.9810
59 PRS 0.9809
60 282 0.9807
61 OXQ 0.9803
62 JZ9 0.9802
63 FAN 0.9801
64 FEH 0.9800
65 SAL 0.9800
66 HY1 0.9799
67 SYN 0.9791
68 7A8 0.9790
69 ISZ 0.9785
70 3U4 0.9784
71 PY7 0.9783
72 BE2 0.9779
73 HBX 0.9778
74 OAA 0.9778
75 HBD 0.9777
76 ES6 0.9776
77 JBE 0.9774
78 3OC 0.9774
79 UGC 0.9771
80 4SV 0.9769
81 JZ5 0.9768
82 54D 0.9764
83 PAB 0.9763
84 PYF 0.9762
85 1Y6 0.9759
86 60P 0.9754
87 2CK 0.9754
88 826 0.9752
89 8GC 0.9751
90 PBZ 0.9747
91 AC6 0.9744
92 J1Z 0.9743
93 GAB 0.9740
94 F05 0.9739
95 HLR 0.9738
96 3NT 0.9737
97 9EW 0.9734
98 5HN 0.9732
99 6M9 0.9732
100 1PT 0.9732
101 0RW 0.9725
102 I1E 0.9723
103 NBE 0.9722
104 SW7 0.9721
105 Z82 0.9719
106 3HB 0.9716
107 VNJ 0.9715
108 JKE 0.9714
109 3AB 0.9714
110 FBM 0.9713
111 4MA 0.9713
112 MLT 0.9713
113 AX7 0.9711
114 HYP 0.9711
115 270 0.9709
116 53C 0.9709
117 MXN 0.9708
118 NIZ 0.9706
119 14J 0.9705
120 OK7 0.9703
121 6M4 0.9700
122 MNN 0.9700
123 7WV 0.9699
124 4CS 0.9698
125 SVN 0.9696
126 NMJ 0.9695
127 HZP 0.9693
128 3SK 0.9693
129 1MR 0.9691
130 OVV 0.9688
131 1DJ 0.9685
132 HY3 0.9684
133 1WD 0.9679
134 UYA 0.9675
135 TFB 0.9673
136 F9P 0.9671
137 UY7 0.9670
138 14O 0.9670
139 FQI 0.9669
140 9CL 0.9668
141 DYA 0.9666
142 ABV 0.9665
143 FPI 0.9665
144 2MI 0.9664
145 FB2 0.9661
146 HIO 0.9660
147 8EZ 0.9660
148 5H1 0.9660
149 174 0.9658
150 WCE 0.9657
151 2K4 0.9657
152 F60 0.9652
153 BRT 0.9646
154 FBJ 0.9645
155 APY 0.9645
156 TPA 0.9637
157 PCA 0.9636
158 6AI 0.9634
159 1DU 0.9626
160 3BZ 0.9624
161 P92 0.9620
162 BZX 0.9615
163 5MI 0.9614
164 PHU 0.9613
165 M4T 0.9609
166 LMR 0.9600
167 5MB 0.9598
168 PMB 0.9597
169 XM0 0.9597
170 7WG 0.9592
171 CXF 0.9591
172 ADE 0.9587
173 T2C 0.9587
174 XBT 0.9583
175 0TR 0.9581
176 2RH 0.9577
177 ZBT 0.9577
178 TZL 0.9577
179 RSF 0.9574
180 L3Q 0.9570
181 3ID 0.9569
182 HPA 0.9568
183 COI 0.9567
184 HBA 0.9567
185 SRT 0.9556
186 HSM 0.9547
187 B24 0.9546
188 THE 0.9538
189 ASP 0.9537
190 FBA 0.9531
191 HHA 0.9531
192 3M0 0.9531
193 JAE 0.9531
194 NNO 0.9526
195 DBH 0.9523
196 11S 0.9523
197 1WG 0.9523
198 1DQ 0.9521
199 3HA 0.9518
200 10L 0.9517
201 QY9 0.9514
202 NK 0.9513
203 4VP 0.9512
204 JBK 0.9512
205 M6W 0.9511
206 PZI 0.9510
207 40E 0.9508
208 PEA 0.9507
209 4P5 0.9501
210 ES9 0.9500
211 GJZ 0.9499
212 3F0 0.9498
213 ASN 0.9495
214 H4N 0.9493
215 150 0.9491
216 FE DB1 0.9489
217 INO 0.9489
218 PYJ 0.9489
219 KKN 0.9487
220 DMD 0.9486
221 ISN 0.9486
222 TLA 0.9481
223 FK1 0.9479
224 8NY 0.9476
225 IP0 0.9475
226 P9P 0.9475
227 BP1 0.9474
228 K34 0.9472
229 SPA 0.9472
230 1P3 0.9471
231 BVC 0.9471
232 PAC 0.9470
233 9DA 0.9470
234 URF 0.9469
235 7HP 0.9469
236 5WV 0.9467
237 COU 0.9466
238 XYP 0.9464
239 93K 0.9462
240 4NC 0.9461
241 XX2 0.9461
242 FCR 0.9459
243 9TW 0.9458
244 SHA 0.9458
245 2HO 0.9457
246 TH0 0.9457
247 FHB 0.9456
248 HDH 0.9454
249 69O 0.9453
250 7N0 0.9452
251 KIV 0.9452
252 GYE 0.9451
253 JB5 0.9450
254 7WA 0.9449
255 3HM 0.9447
256 MYJ 0.9447
257 TH7 0.9446
258 DHB 0.9444
259 9HX 0.9442
260 HSE 0.9440
261 SWD 0.9440
262 6MP 0.9440
263 4A3 0.9436
264 271 0.9436
265 67N 0.9436
266 2CQ 0.9436
267 GUA 0.9436
268 PEL 0.9435
269 2AQ 0.9435
270 ES7 0.9432
271 JLZ 0.9430
272 7W4 0.9426
273 RB5 0.9425
274 XYL 0.9425
275 03V 0.9425
276 TZE 0.9423
277 M1A 0.9422
278 J9T 0.9421
279 ES5 0.9421
280 FUM 0.9421
281 WOT 0.9420
282 R8A 0.9418
283 MAK 0.9418
284 1SQ 0.9417
285 7CZ 0.9417
286 1MC 0.9417
287 MZW 0.9415
288 4JM 0.9414
289 CHB 0.9414
290 1DV 0.9414
291 5SG 0.9413
292 XQ0 0.9413
293 QSB 0.9412
294 TEO 0.9412
295 1LQ 0.9411
296 4XH 0.9411
297 NMG 0.9410
298 LDU 0.9410
299 WBU 0.9407
300 IHB 0.9407
301 SIN 0.9406
302 NXA 0.9402
303 4YS 0.9399
304 BVG 0.9399
305 717 0.9397
306 45C 0.9394
307 OCH 0.9392
308 5Q0 0.9392
309 TSU 0.9391
310 HCS 0.9390
311 GRE 0.9390
312 LXC 0.9389
313 MZ0 0.9389
314 5IQ 0.9388
315 N5J 0.9388
316 24W 0.9388
317 HQY 0.9388
318 ES4 0.9388
319 KYD 0.9387
320 RMN 0.9386
321 OHG 0.9385
322 OTR 0.9384
323 PRI 0.9384
324 4FS 0.9383
325 ES1 0.9383
326 AHR 0.9383
327 DOB 0.9383
328 ALO 0.9381
329 FA0 0.9381
330 1P7 0.9378
331 SJ5 0.9377
332 51R 0.9375
333 EDG 0.9375
334 HH8 0.9374
335 MCT 0.9374
336 HX2 0.9374
337 CEE 0.9373
338 PM6 0.9373
339 JZ3 0.9372
340 2LP 0.9372
341 PLQ 0.9372
342 BP9 0.9371
343 TDR 0.9371
344 JPZ 0.9369
345 FPY 0.9366
346 4JL 0.9366
347 AL0 0.9364
348 1AB 0.9364
349 QDK 0.9364
350 7B4 0.9364
351 5NU 0.9363
352 173 0.9362
353 BHA 0.9362
354 KOJ 0.9361
355 275 0.9361
356 GLU 0.9360
357 280 0.9359
358 4JU 0.9359
359 6M1 0.9357
360 5B1 0.9357
361 6F0 0.9356
362 MAE 0.9355
363 AAS 0.9353
364 51F 0.9352
365 HVQ 0.9352
366 ORO 0.9352
367 3DO 0.9350
368 MWM 0.9350
369 4ZE 0.9349
370 069 0.9347
371 RIB 0.9347
372 PKU 0.9346
373 SAN 0.9343
374 23A 0.9343
375 5CU 0.9343
376 2MP 0.9342
377 R2B 0.9341
378 NVI 0.9341
379 O72 0.9341
380 H42 0.9341
381 2ZV 0.9339
382 FBV 0.9339
383 4M0 0.9338
384 FPN 0.9337
385 HMH 0.9336
386 R1X 0.9336
387 JBH 0.9335
388 DE5 0.9334
389 HQE 0.9334
390 XYD 0.9333
391 IQ0 0.9333
392 2AC 0.9331
393 MRY 0.9330
394 4JT 0.9329
395 OXZ 0.9329
396 Q88 0.9329
397 45L 0.9328
398 PBE 0.9328
399 268 0.9327
400 ADZ 0.9326
401 IFM 0.9324
402 ES0 0.9324
403 F4Z 0.9324
404 FP1 0.9323
405 DA1 0.9323
406 XBZ 0.9323
407 ITN 0.9321
408 ICP 0.9320
409 PYD 0.9320
410 ET2 0.9319
411 BTE 0.9318
412 1NP 0.9317
413 7MU 0.9315
414 34A 0.9313
415 MLA 0.9313
416 4HO 0.9312
417 IMR 0.9311
418 5RG 0.9310
419 XCZ 0.9310
420 1LN 0.9308
421 SMN 0.9307
422 AZF 0.9307
423 4WL 0.9305
424 DAS 0.9305
425 1DW 0.9305
426 QWN 0.9305
427 A1U 0.9305
428 4XR 0.9305
429 8OZ 0.9303
430 4JJ 0.9303
431 CWM 0.9302
432 OXC 0.9302
433 3PF 0.9300
434 URS 0.9299
435 AW5 0.9298
436 GTQ 0.9298
437 9TZ 0.9298
438 GRO 0.9297
439 34D 0.9296
440 FB1 0.9296
441 H8N 0.9294
442 M3H 0.9293
443 HSO 0.9293
444 4ZA 0.9293
445 RHU 0.9293
446 C2B 0.9293
447 THR 0.9291
448 1SA 0.9289
449 1LM 0.9289
450 HT4 0.9289
451 DOR 0.9288
452 98J 0.9288
453 PCR 0.9288
454 9X7 0.9287
455 D48 0.9286
456 0R0 0.9284
457 2MH 0.9284
458 286 0.9283
459 54G 0.9282
460 LG4 0.9281
461 SD4 0.9280
462 FBW 0.9280
463 IPB 0.9278
464 CLW 0.9278
465 9RW 0.9277
466 2YU 0.9277
467 6CS 0.9277
468 XUL 0.9277
469 FBS 0.9276
470 5UC 0.9275
471 EQT 0.9274
472 4CL 0.9273
473 DS0 0.9272
474 RM1 0.9271
475 4J8 0.9271
476 G3E 0.9270
477 DAB 0.9270
478 36R 0.9270
479 AHB 0.9269
480 JYD 0.9269
481 5JC 0.9266
482 D1X 0.9265
483 DHR 0.9265
484 ILE 0.9263
485 5M0 0.9263
486 A09 0.9263
487 DTL 0.9263
488 CAQ 0.9263
489 CXL 0.9263
490 ECE 0.9262
491 3SL 0.9261
492 AMS 0.9261
493 ASC 0.9260
494 5MK 0.9259
495 QXW 0.9259
496 VAL 0.9259
497 5MH 0.9258
498 J5I 0.9256
499 LT2 0.9255
500 2CO 0.9255
501 PIY 0.9254
502 NYL 0.9253
503 ROR 0.9253
504 GIF 0.9252
505 IZC 0.9252
506 ES2 0.9251
507 VGD 0.9251
508 TC7 0.9251
509 43M 0.9251
510 2AL 0.9251
511 BSX 0.9250
512 SE2 0.9250
513 DCL 0.9249
514 3ZQ 0.9249
515 27Y 0.9248
516 261 0.9247
517 AGK 0.9246
518 RBL 0.9246
519 BEW 0.9246
520 5QY 0.9245
521 PXY 0.9244
522 FYU 0.9240
523 HIS 0.9237
524 K2T 0.9236
525 MLI 0.9236
526 AEF 0.9235
527 AKG 0.9234
528 FBB 0.9234
529 IFP 0.9233
530 2D0 0.9232
531 25R 0.9232
532 SKM 0.9231
533 JZ2 0.9231
534 AC5 0.9231
535 9YL 0.9229
536 H3M 0.9229
537 SX1 0.9228
538 CYH 0.9228
539 LCN 0.9225
540 I3A 0.9225
541 5VM 0.9224
542 2IM 0.9223
543 L99 0.9223
544 DHK 0.9219
545 LEU 0.9219
546 PRY 0.9219
547 MUC 0.9218
548 HL5 0.9217
549 T9G 0.9216
550 HAI 0.9215
551 1P8 0.9214
552 258 0.9214
553 GUN 0.9214
554 HH5 0.9214
555 DMG 0.9214
556 TM7 0.9213
557 PAF 0.9212
558 V1L 0.9212
559 PEQ 0.9211
560 0V5 0.9211
561 SNE 0.9211
562 MLM 0.9211
563 S2G 0.9210
564 C5J 0.9210
565 40O 0.9210
566 ICC 0.9209
567 MWJ 0.9209
568 DHS 0.9207
569 JZ1 0.9206
570 25W 0.9205
571 CFP 0.9205
572 2EZ 0.9205
573 PIM 0.9203
574 JZ4 0.9203
575 E5X 0.9202
576 PEP 0.9201
577 A2Q 0.9201
578 4CH 0.9200
579 GDE 0.9199
580 6GU 0.9199
581 DX4 0.9197
582 OXE 0.9195
583 HX3 0.9192
584 QMP 0.9192
585 ONL 0.9191
586 ABE 0.9191
587 4FA 0.9190
588 J9Q 0.9190
589 IUR 0.9189
590 A2F 0.9188
591 L60 0.9188
592 TIU 0.9184
593 GXE 0.9184
594 6AP 0.9184
595 C2A 0.9183
596 2DR 0.9183
597 TTL 0.9180
598 PPR 0.9178
599 JA8 0.9178
600 SPV 0.9178
601 XAN 0.9178
602 FUL 0.9177
603 N4B 0.9175
604 JFJ 0.9175
605 NOJ 0.9175
606 G2F 0.9174
607 ZXD 0.9174
608 LDP 0.9172
609 EHM 0.9172
610 RP7 0.9172
611 ICF 0.9171
612 5OB 0.9170
613 HMU 0.9170
614 BZ3 0.9169
615 IPH 0.9169
616 MZG 0.9168
617 YRL 0.9166
618 SEP 0.9165
619 IGA 0.9165
620 MBN 0.9163
621 FCA 0.9163
622 4NM 0.9161
623 TAR 0.9161
624 HRZ 0.9159
625 LNR 0.9157
626 264 0.9156
627 93B 0.9154
628 K5W 0.9153
629 P2D 0.9153
630 GZ3 0.9152
631 IHG 0.9152
632 7HQ 0.9151
633 2AP 0.9151
634 G3H 0.9150
635 G3P 0.9150
636 4HS 0.9150
637 AZA 0.9150
638 4AP 0.9150
639 SKG 0.9148
640 4AA 0.9147
641 7W1 0.9147
642 3AP 0.9147
643 HVK 0.9147
644 ASO 0.9146
645 5QX 0.9146
646 BGC 0.9145
647 Z6J 0.9143
648 RCO 0.9143
649 ARB 0.9143
650 BR9 0.9141
651 DUC 0.9141
652 H95 0.9140
653 GLY GLY 0.9140
654 QOS 0.9140
655 1M2 0.9140
656 AAE 0.9138
657 BOA 0.9138
658 8CL 0.9135
659 DFB 0.9135
660 FLA 0.9135
661 URA 0.9135
662 XIY 0.9134
663 278 0.9134
664 290 0.9134
665 5XC 0.9133
666 CYT 0.9133
667 IOM 0.9133
668 CRN 0.9133
669 3MB 0.9132
670 1XN 0.9132
671 0CU 0.9132
672 XLS 0.9131
673 0P6 0.9128
674 23W 0.9128
675 IDH 0.9128
676 I2M 0.9128
677 3CH 0.9128
678 XYS 0.9127
679 2PG 0.9124
680 XSP 0.9124
681 A13 0.9124
682 X0V 0.9123
683 SVD 0.9122
684 BML 0.9122
685 IFL 0.9121
686 259 0.9121
687 LG3 0.9121
688 BCP 0.9121
689 9TY 0.9121
690 3HL 0.9121
691 G6D 0.9120
692 DFU 0.9117
693 NOY 0.9116
694 S76 0.9116
695 OVM 0.9116
696 RIP 0.9116
697 8K2 0.9115
698 9DG 0.9115
699 284 0.9114
700 141 0.9114
701 QSH 0.9114
702 GZL 0.9113
703 42A 0.9113
704 HPY 0.9113
705 2CH 0.9113
706 OVP 0.9112
707 4JO 0.9111
708 12Q 0.9110
709 8H8 0.9109
710 92Z 0.9109
711 AMH 0.9108
712 GLC 0.9108
713 LER 0.9106
714 CWS 0.9105
715 9PO 0.9103
716 YH7 0.9102
717 CIZ 0.9102
718 R67 0.9101
719 EKZ 0.9101
720 3PG 0.9101
721 F81 0.9101
722 URP 0.9101
723 P3K 0.9100
724 24B 0.9100
725 2KT 0.9100
726 97T 0.9098
727 2FT 0.9097
728 4JN 0.9097
729 2BG 0.9096
730 BVF 0.9096
731 AZG 0.9095
732 FUC 0.9095
733 FP2 0.9095
734 HHN 0.9094
735 LGA 0.9094
736 FGZ 0.9093
737 NVA 0.9093
738 PXL 0.9093
739 OKG 0.9092
740 3PY 0.9092
741 1AN 0.9092
742 G4D 0.9091
743 DGJ 0.9091
744 EA1 0.9091
745 CSS 0.9091
746 KTA 0.9090
747 ORN 0.9088
748 RBJ 0.9088
749 CRS 0.9087
750 0MK 0.9087
751 8CM 0.9086
752 TLD 0.9086
753 I4B 0.9084
754 K7M 0.9084
755 TTO 0.9083
756 3Z8 0.9083
757 269 0.9082
758 AKB 0.9082
759 OW4 0.9080
760 MR1 0.9078
761 3QM 0.9077
762 2AF 0.9077
763 DHQ 0.9076
764 KUF 0.9075
765 A7W 0.9074
766 GOJ 0.9074
767 8LG 0.9074
768 3FH 0.9074
769 SYV 0.9071
770 0W8 0.9071
771 4MV 0.9070
772 TYL 0.9070
773 KPL 0.9070
774 1XM 0.9069
775 64K 0.9069
776 CMS 0.9068
777 2TQ 0.9067
778 ANN 0.9066
779 HQT 0.9066
780 FW5 0.9066
781 IF7 0.9065
782 IVA 0.9065
783 SSN 0.9064
784 2XX 0.9064
785 JZ0 0.9064
786 KG7 0.9064
787 PBA 0.9063
788 XRG 0.9059
789 NDH 0.9059
790 SWA 0.9058
791 L89 0.9058
792 MED 0.9057
793 DGY 0.9057
794 PNZ 0.9056
795 ZZT 0.9055
796 YAN 0.9055
797 1GP 0.9054
798 ZZ3 0.9053
799 2HQ 0.9053
800 6RQ 0.9053
801 JIF 0.9052
802 LG5 0.9052
803 SKA 0.9051
804 2A7 0.9051
805 R9S 0.9050
806 26D 0.9049
807 FUB 0.9048
808 RNS 0.9047
809 BPN 0.9046
810 LT1 0.9045
811 GLN 0.9045
812 8GF 0.9045
813 4FH 0.9044
814 GLL 0.9044
815 OHP 0.9043
816 GGL 0.9041
817 CTL 0.9040
818 PRA 0.9039
819 DMJ 0.9039
820 4NG 0.9038
821 DGN 0.9038
822 DIN 0.9038
823 13P 0.9038
824 86J 0.9038
825 IV2 0.9038
826 32X 0.9038
827 2AS 0.9037
828 93Q 0.9037
829 RUU 0.9036
830 4BZ 0.9035
831 MRW 0.9034
832 LZM 0.9034
833 BNF 0.9033
834 92K 0.9033
835 MNM 0.9033
836 4SX 0.9033
837 MET 0.9032
838 3HR 0.9030
839 3MC 0.9029
840 HPS 0.9028
841 LYL 0.9028
842 449 0.9028
843 76X 0.9028
844 285 0.9026
845 RAM 0.9026
846 2FY 0.9024
847 VNL 0.9024
848 2HG 0.9023
849 PGA 0.9023
850 HJP 0.9022
851 NSP 0.9020
852 ADK 0.9020
853 UNC 0.9018
854 NCT 0.9017
855 Q24 0.9017
856 GG6 0.9016
857 47J 0.9016
858 HTS 0.9015
859 3XX 0.9014
860 FOT 0.9012
861 5GU 0.9010
862 IOL 0.9010
863 MT0 0.9010
864 MQN 0.9009
865 8WO 0.9009
866 2EC 0.9008
867 F5B 0.9008
868 3IT 0.9008
869 KJH 0.9007
870 7EX 0.9007
871 E7Z 0.9006
872 FA1 0.9006
873 MS9 0.9005
874 HDA 0.9004
875 PIH 0.9003
876 PYG 0.9003
877 OGA 0.9003
878 HGW 0.9002
879 SN4 0.9001
880 G3F 0.9000
881 0HO 0.8998
882 SYG 0.8997
883 R8V 0.8996
884 CEJ 0.8996
885 YHO 0.8996
886 N2Z 0.8995
887 HHI 0.8995
888 RNT 0.8994
889 EXO 0.8994
890 Y8I 0.8993
891 HIU 0.8993
892 4P0 0.8991
893 ODO 0.8991
894 FBT 0.8988
895 NLE 0.8986
896 URC 0.8986
897 938 0.8984
898 3Z7 0.8982
899 5RN 0.8982
900 3AL 0.8982
901 HGQ 0.8982
902 24T 0.8981
903 XXR 0.8977
904 C2U 0.8976
905 0HN 0.8976
906 SC2 0.8976
907 ABU 0.8975
908 HC4 0.8974
909 TMZ 0.8973
910 IPZ 0.8973
911 MWP 0.8970
912 4HC 0.8969
913 DBX 0.8968
914 MAN 0.8968
915 PE0 0.8968
916 4H2 0.8968
917 B40 0.8967
918 4YO 0.8967
919 LGC 0.8967
920 M5K 0.8966
921 34V 0.8966
922 9MG 0.8966
923 KMT 0.8965
924 GVG 0.8965
925 25T 0.8965
926 HHH 0.8964
927 0JD 0.8964
928 GAL 0.8963
929 B57 0.8962
930 B85 0.8961
931 MEW 0.8961
932 2A9 0.8960
933 4JQ 0.8960
934 82I 0.8960
935 ARA 0.8960
936 HQJ 0.8959
937 L5V 0.8957
938 6X8 0.8957
939 23J 0.8956
940 ABI 0.8956
941 DIU 0.8956
942 8S0 0.8956
943 KJU 0.8955
944 LRH 0.8955
945 DGL 0.8954
946 CIG 0.8953
947 IJZ 0.8952
948 M3T 0.8952
949 4Z4 0.8951
950 FDB 0.8950
951 AZ8 0.8949
952 G2H 0.8948
953 0TU 0.8947
954 AQO 0.8947
955 HEW 0.8947
956 GLY ALA 0.8946
957 HYN 0.8945
958 FLM 0.8944
959 GIO 0.8943
960 PAE 0.8942
961 MSR 0.8940
962 3A9 0.8938
963 75K 0.8937
964 LEA 0.8936
965 JBQ 0.8936
966 52C 0.8936
967 X1S 0.8935
968 4ZC 0.8935
969 NEQ 0.8935
970 RJY 0.8931
971 FFP 0.8931
972 3FA 0.8930
973 3WA 0.8930
974 32O 0.8929
975 XQG 0.8929
976 A29 0.8928
977 YTB 0.8928
978 ADA 0.8927
979 F31 0.8927
980 FBU 0.8927
981 GMN 0.8927
982 B3R 0.8926
983 6NT 0.8925
984 SME 0.8924
985 PAH 0.8923
986 8ZE 0.8923
987 APG 0.8922
988 7MH 0.8922
989 KT7 0.8921
990 BDP 0.8919
991 EYK 0.8919
992 SOE 0.8918
993 GTR 0.8918
994 495 0.8918
995 MZB 0.8917
996 Q6T 0.8916
997 RAT 0.8915
998 G5V 0.8915
999 PGH 0.8915
1000 F9Y 0.8914
1001 O7U 0.8914
1002 GCU 0.8914
1003 2FG 0.8913
1004 HZQ 0.8912
1005 AJ2 0.8911
1006 EDR 0.8910
1007 KBG 0.8909
1008 FSG 0.8909
1009 SER 0.8909
1010 2ZM 0.8908
1011 N7P 0.8908
1012 DBB 0.8908
1013 DQY 0.8906
1014 AFR 0.8906
1015 BEA 0.8906
1016 263 0.8905
1017 PMF 0.8905
1018 CYS 0.8905
1019 3NY 0.8904
1020 0OC 0.8903
1021 3PP 0.8902
1022 F0J 0.8900
1023 MBD 0.8900
1024 BTY 0.8899
1025 FUF 0.8898
1026 4XX 0.8896
1027 B55 0.8894
1028 C2N 0.8892
1029 E60 0.8892
1030 KBB 0.8891
1031 WOO 0.8891
1032 GCS 0.8890
1033 QX2 0.8890
1034 XIX 0.8890
1035 2F6 0.8889
1036 ACH 0.8889
1037 DCY 0.8889
1038 ALL 0.8888
1039 R8S 0.8887
1040 PZM 0.8887
1041 AKH 0.8886
1042 2C9 0.8886
1043 4VY 0.8885
1044 M6N 0.8884
1045 MPD 0.8882
1046 3V4 0.8882
1047 MLE 0.8881
1048 F4E 0.8880
1049 2MY 0.8880
1050 1XX 0.8879
1051 CN0 0.8877
1052 QWW 0.8877
1053 12M 0.8877
1054 TMT 0.8877
1055 BZ2 0.8877
1056 PO6 0.8876
1057 BCU 0.8875
1058 FK8 0.8875
1059 CXP 0.8875
1060 MJ2 0.8874
1061 DSN 0.8874
1062 2H5 0.8872
1063 42C 0.8872
1064 1DH 0.8872
1065 2HU 0.8871
1066 ABA 0.8870
1067 DXX 0.8869
1068 XAZ 0.8867
1069 3MH 0.8861
1070 PHE 0.8859
1071 CPZ 0.8859
1072 8TX 0.8858
1073 AJV 0.8857
1074 TZF 0.8857
1075 S0H 0.8857
1076 IPU 0.8857
1077 5JQ 0.8856
1078 J9N 0.8854
1079 HLZ 0.8851
1080 4HM 0.8850
1081 6NI 0.8850
1082 5NI 0.8848
1083 1F1 0.8848
1084 DBJ 0.8846
1085 H76 0.8845
1086 JAW 0.8844
1087 X05 0.8843
1088 SNU 0.8842
1089 GLA 0.8840
1090 3CE 0.8838
1091 M1E 0.8837
1092 ICO 0.8837
1093 MO8 0.8835
1094 8IG 0.8835
1095 4SD 0.8834
1096 EUG 0.8832
1097 4M4 0.8832
1098 TGX 0.8832
1099 5JL 0.8832
1100 GXY 0.8832
1101 3RK 0.8831
1102 AZ9 0.8830
1103 GAF 0.8829
1104 BDF 0.8829
1105 KJY 0.8828
1106 LLQ 0.8827
1107 8WT 0.8827
1108 4XV 0.8826
1109 6FZ 0.8826
1110 CP 0.8826
1111 7NI 0.8825
1112 42J 0.8825
1113 JXN 0.8825
1114 M45 0.8824
1115 NK2 0.8824
1116 M1Q 0.8824
1117 39A 0.8824
1118 M0W 0.8824
1119 6TZ 0.8824
1120 M2K 0.8823
1121 J9W 0.8821
1122 DTU 0.8819
1123 HHQ 0.8819
1124 6OT 0.8818
1125 CTS 0.8818
1126 V55 0.8818
1127 B53 0.8817
1128 1GN 0.8816
1129 B2J 0.8815
1130 6MH 0.8814
1131 N8P 0.8814
1132 3HP 0.8810
1133 QIC 0.8810
1134 4HP 0.8810
1135 9X6 0.8808
1136 ESP 0.8808
1137 DRL 0.8807
1138 GXL 0.8805
1139 1SP 0.8803
1140 2CM 0.8803
1141 WDL 0.8803
1142 DAL DAL 0.8802
1143 R20 0.8801
1144 BMA 0.8801
1145 M2H 0.8799
1146 N2I 0.8798
1147 M0Q 0.8798
1148 HQD 0.8797
1149 SAT 0.8794
1150 TM4 0.8793
1151 X6X 0.8790
1152 4XS 0.8788
1153 EV0 0.8787
1154 IWT 0.8786
1155 7VS 0.8783
1156 7VD 0.8783
1157 6UA 0.8783
1158 15E 0.8780
1159 T6C 0.8779
1160 9FL 0.8778
1161 3DM 0.8777
1162 INS 0.8777
1163 DEE 0.8773
1164 FUD 0.8771
1165 3MA 0.8770
1166 AX2 0.8769
1167 HXX 0.8768
1168 LSA 0.8767
1169 5RO 0.8766
1170 0BP 0.8765
1171 RUY 0.8764
1172 ICB 0.8764
1173 AS3 0.8763
1174 7VP 0.8762
1175 UFV 0.8762
1176 5WX 0.8762
1177 TB6 0.8760
1178 13X 0.8760
1179 GP9 0.8760
1180 0N7 0.8759
1181 149 0.8753
1182 PCT 0.8750
1183 192 0.8750
1184 GIV 0.8748
1185 RM4 0.8748
1186 5AN 0.8743
1187 FPK 0.8743
1188 DUB 0.8741
1189 TEP 0.8740
1190 GCB 0.8738
1191 MUA 0.8737
1192 329 0.8734
1193 GOO 0.8733
1194 3AY 0.8733
1195 36Y 0.8732
1196 KMH 0.8731
1197 2ZX 0.8730
1198 N3W 0.8725
1199 3R6 0.8722
1200 M1H 0.8720
1201 NF3 0.8719
1202 SAR 0.8719
1203 XXG 0.8714
1204 EVA 0.8713
1205 JF6 0.8713
1206 FA3 0.8713
1207 CWJ 0.8712
1208 MFB 0.8711
1209 OPE 0.8709
1210 I3E 0.8708
1211 2HC 0.8708
1212 BR8 0.8708
1213 SEJ 0.8707
1214 6ME 0.8704
1215 HCI 0.8703
1216 PRZ 0.8701
1217 PIS 0.8700
1218 5CL 0.8700
1219 Z5P 0.8699
1220 260 0.8699
1221 2AK 0.8698
1222 GOL 0.8698
1223 5ZE 0.8695
1224 DIE 0.8688
1225 9CA 0.8687
1226 6HQ 0.8686
1227 PLU 0.8683
1228 LYS 0.8681
1229 ODV 0.8680
1230 APZ 0.8679
1231 MB3 0.8679
1232 MBG 0.8679
1233 37T 0.8676
1234 1IT 0.8676
1235 TAG 0.8675
1236 KVP 0.8674
1237 0LH 0.8673
1238 F12 0.8667
1239 TSS 0.8667
1240 FDK 0.8666
1241 XXP 0.8665
1242 MPV 0.8663
1243 BNL 0.8662
1244 ISE 0.8660
1245 A8C 0.8659
1246 Q02 0.8659
1247 KDV 0.8659
1248 GLY PRO 0.8656
1249 B62 0.8652
1250 ONR 0.8647
1251 OTW 0.8647
1252 BAL 0.8644
1253 5LA 0.8642
1254 1CB 0.8640
1255 M4S 0.8639
1256 KSW 0.8639
1257 OMD 0.8638
1258 4ME 0.8636
1259 ATQ 0.8636
1260 152 0.8634
1261 N8Y 0.8632
1262 44V 0.8631
1263 0F9 0.8630
1264 BUA 0.8629
1265 SHG 0.8628
1266 DQA 0.8626
1267 PPV 0.8625
1268 XHP 0.8623
1269 1XA 0.8622
1270 MSF 0.8620
1271 NQ 0.8619
1272 BXO 0.8616
1273 4MU 0.8614
1274 0FO 0.8614
1275 2CL 0.8612
1276 TBP 0.8609
1277 DQU 0.8608
1278 MSN 0.8608
1279 1WC 0.8606
1280 TTY 0.8603
1281 4JC 0.8603
1282 CH9 0.8601
1283 C2Y 0.8598
1284 ESX 0.8592
1285 DHY 0.8588
1286 3MT 0.8584
1287 YSO 0.8581
1288 FCN 0.8577
1289 QX4 0.8577
1290 RXA 0.8574
1291 1U6 0.8572
1292 BAQ 0.8569
1293 MSE 0.8568
1294 E35 0.8562
1295 HV2 0.8560
1296 VXX 0.8545
1297 9R5 0.8541
1298 4MZ 0.8541
1299 PEZ 0.8539
1300 XDE 0.8538
1301 QBK 0.8534
1302 HSL 0.8514
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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