Receptor
PDB id Resolution Class Description Source Keywords
5FE3 2.12 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF HUMAN PCAF BROMODOMAIN IN COMPLEX WITH MB360 (FRAGMENT 4) HOMO SAPIENS SIGNALING PROTEIN BROMODOMAIN HISTONE ACETYLTRANSFERASE KAHISTONE ACETYLATION ACETYLLYSINE EPIGENETICS STRUCTURALCONSORTIUM (SGC)
Ref.: STRUCTURE-BASED IDENTIFICATION OF INHIBITORY FRAGME TARGETING THE P300/CBP-ASSOCIATED FACTOR BROMODOMAI J.MED.CHEM. V. 59 1648 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5WX B:904;
A:904;
Valid;
Valid;
none;
none;
submit data
164.161 C8 H8 N2 O2 COc1c...
EDO B:901;
A:903;
A:902;
B:903;
B:902;
A:901;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FDZ 2.4 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF HUMAN PCAF BROMODOMAIN IN COMPLEX WITH BDOMB00091A (COMPOUND 14) HOMO SAPIENS SIGNALING PROTEIN BROMODOMAIN HISTONE ACETYLTRANSFERASE KAHISTONE ACETYLATION ACETYLLYSINE EPIGENETICS STRUCTURALCONSORTIUM (SGC)
Ref.: STRUCTURE-BASED IDENTIFICATION OF INHIBITORY FRAGME TARGETING THE P300/CBP-ASSOCIATED FACTOR BROMODOMAI J.MED.CHEM. V. 59 1648 2016
Members (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 64 families.
1 5FE0 - ALY C8 H16 N2 O3 CC(=O)NCCC....
2 5LVR Kd = 250 uM 78Y C10 H10 N4 O Cc1c(nn(n1....
3 5FDZ Kd = 6.8 uM 5X0 C21 H24 N2 O5 CNC(=O)c1c....
4 5FE1 - 12Q C10 H9 N O CN1c2ccccc....
5 5FE6 Kd = 6910 uM 5WZ C9 H16 N2 O C1CC1C(=O)....
6 5FE2 - 5WV C9 H9 N O CN1Cc2cccc....
7 5FE7 Kd = 488 uM 5WU C10 H14 N2 O2 Cc1c2c(n(n....
8 5FE8 - 5WT C13 H14 N2 O2 CC1=CC(=O)....
9 5FE4 - 5WY C9 H9 N O3 c1cc(c2c(c....
10 5FE9 Kd = 20.98 uM 5WS C12 H14 N2 O3 S CC1=CC(=O)....
11 5FE5 - 2QC C9 H9 N3 S c1cc(ccc1C....
12 5MKX ic50 = 20 uM 82I C6 H8 Cl N3 O CNC1=C(C(=....
13 5LVQ Kd = 73 uM 2LX C13 H17 N O3 CNC(=O)c1c....
14 5FE3 - 5WX C8 H8 N2 O2 COc1cccc2c....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 5FE0 - ALY C8 H16 N2 O3 CC(=O)NCCC....
2 5LVR Kd = 250 uM 78Y C10 H10 N4 O Cc1c(nn(n1....
3 5FDZ Kd = 6.8 uM 5X0 C21 H24 N2 O5 CNC(=O)c1c....
4 5FE1 - 12Q C10 H9 N O CN1c2ccccc....
5 5FE6 Kd = 6910 uM 5WZ C9 H16 N2 O C1CC1C(=O)....
6 5FE2 - 5WV C9 H9 N O CN1Cc2cccc....
7 5FE7 Kd = 488 uM 5WU C10 H14 N2 O2 Cc1c2c(n(n....
8 5FE8 - 5WT C13 H14 N2 O2 CC1=CC(=O)....
9 5FE4 - 5WY C9 H9 N O3 c1cc(c2c(c....
10 5FE9 Kd = 20.98 uM 5WS C12 H14 N2 O3 S CC1=CC(=O)....
11 5FE5 - 2QC C9 H9 N3 S c1cc(ccc1C....
12 5MKX ic50 = 20 uM 82I C6 H8 Cl N3 O CNC1=C(C(=....
13 5LVQ Kd = 73 uM 2LX C13 H17 N O3 CNC(=O)c1c....
14 5FE3 - 5WX C8 H8 N2 O2 COc1cccc2c....
15 5MLJ Ki = 1.4 nM 9ST C17 H21 Br N4 O CN1C[C@H](....
16 6J3P Kd = 105 nM B8O C21 H25 N5 O3 CN1C[C@H](....
17 5ML0 - P2L C11 H17 Cl N4 O CN1CCC[C@H....
18 6J3O Kd = 2.4 uM B4L C13 H19 N5 O CN1CCC[C@H....
50% Homology Family (389)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6JJ3 ic50 = 100 nM BS6 C23 H25 N5 O4 S CN1CCN(CC1....
2 6P05 ic50 = 5.9 nM YF2 C30 H28 N6 O3 S CCS(=O)(=O....
3 4IOO - BAE C6 H13 N O CC(C)(C)C(....
4 5I88 Kd = 250 nM 69G C20 H21 N3 O2 C/C=C/CN1C....
5 5DX4 Kd = 0.137 uM E0C C20 H17 Br N2 O4 S CCN1c2ccc(....
6 6JJB ic50 = 49.5 nM BT0 C19 H16 N2 O4 S CN1c2ccc(c....
7 3JVK Kd = 118 uM GLY GLY ALY ALA PRO ARG LYS GLN n/a n/a
8 4HBX ic50 = 1.9 uM 14X C13 H17 N3 O3 S CN1Cc2cc(c....
9 4NUE Ki = 0.15 uM NUE C19 H19 N5 O3 S Cc1cc(c(c(....
10 6SB8 Kd = 0.07 uM L45 C21 H27 N3 O5 S CCN(CC)S(=....
11 5Y94 Kd = 164 nM 8QC C16 H16 Br N3 O4 S Cc1c2cc(c(....
12 6DMJ - 53W C27 H32 N4 O3 Cc1c(c(on1....
13 4HXR ic50 = 4.1 uM 1A4 C13 H10 N2 O3 S3 c1cc(cc(c1....
14 6DML - 9BM C25 H26 N4 O4 Cc1c(c(on1....
15 5TI5 ic50 = 41 uM 7CN C16 H13 Br N2 O3 S c1cc(cc(c1....
16 6VUJ ic50 = 35.2 uM RLY C23 H30 N2 O5 S CCN(CC)S(=....
17 6X7B ic50 = 27 nM ZVP C26 H24 N4 O5 S c1cc(cnc1)....
18 4O7C ic50 = 10 uM 2RK C22 H23 N5 O C1CNCCC1C2....
19 4IOQ - BAQ C4 H7 N O C1CC(=O)NC....
20 4HXK - 1AJ C11 H11 N3 O S c1csc2c1CN....
21 6S6K Kd = 0.18 uM KXK C24 H31 N3 O5 S Cc1c2c(c([....
22 2YEL ic50 = 15.5 nM WSH C25 H21 N5 O2 Cc1nnc2n1-....
23 6RWJ Kd = 6.41 uM KLK C12 H16 N2 O2 Cc1c2c(c([....
24 6SA2 Kd = 0.08 uM L25 C22 H27 N3 O6 S Cc1c2c(c([....
25 6XV7 - O2Q C14 H13 F2 N5 Cc1nnc2n1n....
26 4BW4 ic50 = 631 nM 9B6 C22 H16 F3 N5 O4 Cc1c(c(on1....
27 4O72 ic50 = 1 uM 2R4 C25 H19 N O3 S c1ccc2c(c1....
28 5F63 Kd = 12 nM 5W2 C28 H35 Cl F N7 O3 S Cc1cnc(nc1....
29 5HLS ic50 = 0.039 uM 62G C20 H16 Cl N3 O2 Cc1c-2c(on....
30 4HBW ic50 = 4.8 uM 14Z C11 H15 N3 O3 S CCNS(=O)(=....
31 4OGI Kd = 37 nM R78 C28 H39 N7 O3 CC[C@@H]1C....
32 6WW8 - YR0 C31 H32 N6 O4 S CN(C)C(=O)....
33 5TI7 ic50 = 11 uM 7CQ C17 H19 Br N2 O4 S COc1ccc(cc....
34 4J0S ic50 = 0.382 uM 1H3 C18 H17 N O3 Cc1c(c(on1....
35 6Q3Y Kd = 54 nM HG5 C30 H38 N6 O2 CC[C@@H]1C....
36 6SAJ Kd = 0.05 uM L2Z C23 H27 N3 O6 S Cc1c2c(c([....
37 4F3I Kd = 36.1 nM 0S6 C20 H19 Cl N4 O2 S Cc1c(sc-2c....
38 4QZS Kd = 89 nM JQ1 C23 H26 Cl N4 O2 S Cc1c(sc-2c....
39 6AFR ic50 = 70 nM 9E3 C13 H10 F N3 O c1cc2c(ccc....
40 4WIV Kd = 550 nM 3P2 C21 H23 N5 O Cc1c(c(on1....
41 6VUF ic50 = 147 uM RLV C14 H20 N2 O3 S CCCNS(=O)(....
42 3P5O Kd = 55.2 nM EAM C22 H22 Cl N5 O2 CCNC(=O)C[....
43 4UIX ic50 = 0.00000001 M TVU C22 H24 N2 O6 S2 CN1C=C(c2c....
44 4HXS ic50 = 4.1 uM 1A3 C16 H14 N2 O3 S2 c1ccc(cc1)....
45 5HM0 ic50 = 0.44 uM 62V C18 H13 Cl N2 O Cc1c-2c(on....
46 5DLX Kd = 2 uM 5D2 C25 H33 Cl N8 O Cc1nnc2n1n....
47 5TI2 ic50 = 24 uM 7CJ C16 H15 F N2 O3 S c1cc(cc(c1....
48 5D3H Kd = 7.9 uM 57G C20 H27 N3 O6 S CCc1c(c([n....
49 6E4A Kd = 44 nM HRY C29 H34 Cl N7 O CN1C=C(C=C....
50 4MEP ic50 = 4.7 uM 24Y C19 H14 Cl N5 O Cc1cccnc1n....
51 4YH4 ic50 = 26 uM Y81 C20 H15 N3 O2 c1ccc(cc1)....
52 5D3N Kd = 9.2 uM L40 C18 H23 N3 O4 S CCc1c(c([n....
53 6C7R Kd = 2.2 nM EO4 C24 H25 N7 O2 Cc1c(c(on1....
54 6WGX ic50 = 0.15 uM U0D C31 H36 F3 N7 Cc1cc(cc(c....
55 6HOV - FER C10 H10 O4 COc1cc(ccc....
56 5D26 Kd = 0.81 uM L28 C19 H26 N4 O5 S CCc1c(c([n....
57 3MUK Kd = 380 uM ALA THR PRK ALA ALA ARG LYS SER n/a n/a
58 4J3I Kd = 8.93 uM 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
59 6X7D ic50 = 388 nM UT4 C19 H18 N2 O4 S c1cc2c(cc1....
60 4QB3 Kd = 3.4 uM 30M C17 H21 N3 O2 CC(=O)NCCC....
61 4LZS Kd = 16 uM L46 C11 H16 N2 O2 CCc1c(c([n....
62 6HDQ ic50 = 5.01 uM FZE C30 H37 F2 N5 O Cc1cc(cnc1....
63 4O71 ic50 = 18 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
64 4CFL Kd = 1.33 uM 8DQ C19 H18 N2 O2 c1ccc(cc1)....
65 4C67 - L5S C15 H12 N4 S Cc1nnc2n1-....
66 6V1K - 5SW C20 H23 N3 O3 CN1C=C(c2c....
67 4QR3 ic50 = 1.4 uM BNJ C14 H16 N2 O3 S2 c1cc(cc(c1....
68 4ZC9 - 4MW C38 H37 Cl N8 O7 S Cc1c(sc-2c....
69 4MEO - 25V C18 H16 N2 O2 Cc1cc(c2cc....
70 6UVM Kd = 510 uM QJA C11 H13 N O S2 CC(=O)N1CC....
71 4LRG ic50 = 0.026 uM 1XB C20 H18 Cl N3 O2 S Cc1c(sc-2c....
72 6CKS ic50 = 0.015 uM F5Y C23 H23 N3 O4 S CCS(=O)(=O....
73 6DJC Ki = 232.8 nM CF6 C48 H54 Cl2 N10 O2 S2 Cc1c(sc-2c....
74 5TI3 ic50 = 44 uM 7CG C16 H14 Br2 N2 O3 S c1cc(cc(c1....
75 4HXP - 1A5 C10 H10 N2 O3 c1cc(ccc1C....
76 6PSB ic50 = 24 uM Y18 C17 H19 N3 O2 CN1C[C@H](....
77 6CD4 ic50 = 5.14 uM EX1 C33 H42 N8 O3 CC(C)N1c2c....
78 4O7E ic50 = 5.7 uM 2RN C20 H15 N3 O c1ccc(cc1)....
79 4O74 ic50 = 0.025 uM R78 C28 H39 N7 O3 CC[C@@H]1C....
80 4BW2 ic50 = 6.31 uM UTH C24 H24 N4 O3 Cc1c(c(on1....
81 5CS8 ic50 = 2.29 uM EB8 C21 H18 N2 O5 S CCN1c2ccc(....
82 3U5J Kd = 2.46 uM 08H C17 H13 Cl N4 Cc1nnc2n1-....
83 5EIS Kd = 1.8 uM 5OU C14 H13 Cl N4 O2 CCn1cnc2c1....
84 6FO5 Kd = 0.19 uM DZH C25 H26 N6 O5 S CCn1cnc2c1....
85 6V1L Kd = 418 nM 5U6 C20 H23 N3 O3 CN1C=C(c2c....
86 3U5L Kd = 0.64 uM 08K C17 H14 Cl N5 Cc1nnc2n1-....
87 4QR4 ic50 = 0.25 uM BNK C14 H15 Cl N2 O3 S2 c1cc(c(cc1....
88 4O7A ic50 = 19 uM 2RF C16 H10 Cl2 N2 O3 c1cc(cc(c1....
89 5F61 Kd = 35 nM 5W0 C26 H34 F N7 O2 S Cc1cnc(nc1....
90 4HXN - 1A7 C9 H6 F N O S c1ccc(c(c1....
91 6DL2 Ki = 33 nM GUJ C17 H17 N3 O S Cc1c(c2c(s....
92 5Z5U - 96U C12 H10 N4 O2 c1cn(cn1)c....
93 5TI4 ic50 = 26 uM 7CM C16 H14 Cl F N2 O3 S c1cc(cc(c1....
94 5Y8C ic50 = 0.16 uM 8P9 C16 H15 Cl N2 O5 S Cc1c2cc(c(....
95 4NUD Ki < 0.0845 uM NUD C18 H17 N5 O3 S Cc1cc(c(cc....
96 4O7B ic50 = 20 uM 2RJ C26 H26 F N5 O Cc1cccc(c1....
97 5CPE ic50 = 0.45 uM EB2 C20 H24 N2 O3 S CCN1c2ccc(....
98 5MLI ic50 = 130 uM 82I C6 H8 Cl N3 O CNC1=C(C(=....
99 5DW2 Kd = 1.44 uM 5GD C24 H29 N3 O4 Cc1cc(cc(c....
100 5D3P Kd = 7.4 uM 57E C19 H21 N3 O4 S CCc1c(c([n....
101 4PCE ic50 = 7 uM 2N0 C17 H19 N O CCc1cc2c(n....
102 5D25 Kd = 0.46 uM 56M C19 H25 N3 O5 S CCN(CC)S(=....
103 5DLZ Kd = 1.8 uM 5D1 C28 H35 N3 O3 Cc1cccc(c1....
104 5Y8W ic50 = 0.23 uM 8PU C15 H13 Br N2 O5 S Cc1c2cc(c(....
105 4J0R ic50 = 0.386 uM 1H2 C18 H17 N O3 Cc1c(c(on1....
106 6MH7 ic50 = 1.3 uM JQY C26 H27 F N6 Cc1ccc(cc1....
107 5F60 Kd = 43 nM 5VZ C26 H34 Cl N7 O2 S Cc1cnc(nc1....
108 5Z5V ic50 = 287 nM 96X C15 H14 N4 O2 CC(=O)Nc1c....
109 4HXO - 1A6 C11 H10 N4 O S Cc1cc(on1)....
110 5CRM ic50 = 1.09 uM EB5 C15 H16 N2 O3 S CCNS(=O)(=....
111 6YQN ic50 = 0.72 uM P8T C32 H28 Cl N7 O2 S Cc1c(sc-2c....
112 5CQT Kd = 0.124 uM EB3 C19 H22 N2 O3 S CCN1c2ccc(....
113 5KHM Ki = 5.012 nM XNH C25 H33 N7 O3 C[C@@H]1C(....
114 6XV3 - O2B C28 H33 N9 O Cc1nnc2n1c....
115 4Z1S ic50 = 0.79 uM 559 C23 H21 Cl N6 Cc1nnc2n1-....
116 4MR3 - 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
117 5MKZ ic50 = 20 uM RNK C11 H12 Cl N3 O S Cc1ccsc1CN....
118 5ULA Ki = 77 nM 5MJ C20 H19 Cl N2 O3 CC1=C(CCC1....
119 4O78 ic50 = 4.6 uM SAV C21 H22 N6 O3 Cc1c2ccc(c....
120 6XVC - O32 C22 H21 N5 O2 Cc1nnc2n1c....
121 4OGJ Kd = 164 nM 2TA C27 H36 N6 O3 S Cc1cnc(nc1....
122 5A85 ic50 = 5.01 uM 78J C21 H30 N4 O2 CC1=Cc2ccn....
123 5TI6 ic50 = 21 uM 7CO C16 H14 F2 N2 O3 S c1cc(cc(c1....
124 6MAU - JBS C30 H32 N6 O3 Cc1c(c(on1....
125 6S4B Kd = 0.14 uM KUH C22 H29 N3 O5 S CCN(CC)S(=....
126 6Q3Z Kd = 44 nM HG8 C29 H38 N6 O2 S CC[C@@H]1C....
127 6V0U Kd = 392 nM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
128 6VUC ic50 = 144 uM RLS C16 H22 N2 O3 S CN1C[C@H](....
129 4MR4 - 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
130 4QR5 ic50 = 0.06 uM BNM C18 H21 N3 O4 S2 c1c(cc(cc1....
131 4MEQ - 25O C12 H11 N5 Cc1cc(n2c(....
132 4O77 ic50 = 2.5 uM 2RE C20 H14 F N3 O c1cc(ccc1c....
133 6XUZ - O1W C24 H33 N9 O2 Cc1nnc2n1c....
134 5EI4 ic50 = 26.4 uM 5NV C17 H17 Cl N8 O2 S CCn1c(nc2c....
135 5CY9 Kd = 0.218 uM E0A C17 H20 N2 O3 S CCCCS(=O)(....
136 6MH1 ic50 = 1.7 uM JQP C26 H27 F N6 Cc1cc(cc(c....
137 5CRZ ic50 = 0.45 uM EB7 C19 H14 Cl F N2 O3 S CCN1c2ccc(....
138 5Y93 ic50 = 2.27 uM 8Q9 C23 H27 Br N4 O7 S Cc1c2cc(c(....
139 5AD2 Kd = 63 nM ETU C24 H30 Cl N7 O2 C[C@@H]1C(....
140 4E96 ic50 = 0.22 uM 0NS C16 H17 N3 O4 S CN1Cc2cc(c....
141 5D0C Kd = 2.34 uM E0B C21 H25 N3 O4 S CCN1c2ccc(....
142 4O7F ic50 = 13 uM 2RQ C25 H24 F N5 O2 COc1ccccc1....
143 5CP5 Kd = 1.234 uM EB0 C19 H15 F N2 O3 S CCN1c2ccc(....
144 4CFK Kd = 1.83 uM LY2 C19 H17 N O3 c1ccc(cc1)....
145 5D3R - 57C C23 H31 N3 O4 S CCCc1c(c([....
146 4NUC Ki = 0.91 uM 435 C19 H18 N4 O3 S Cc1cc(cc(c....
147 4HXL ic50 = 2.2 uM 1A9 C22 H25 N3 O4 S3 c1cc(sc1)S....
148 6CIY ic50 = 0.41 uM F3J C34 H42 N8 O3 CN1CCN(CC1....
149 5D3L Kd = 0.88 uM 57F C21 H29 N3 O5 S CCc1c(c([n....
150 4A9L - P9L C14 H19 N3 O4 S CN1Cc2cc(c....
151 4XYA Kd = 1370 nM 43S C13 H8 Br N5 O c1coc2c1cc....
152 4C66 - H4C C17 H16 Cl N4 S CCc1cc2c(s....
153 6UWU ic50 ~ 70 nM QKP C27 H34 N2 O6 Cc1cc(cc(c....
154 4O76 ic50 = 0.13 uM 1M3 C26 H35 N7 O2 S Cc1cnc(nc1....
155 5LJ2 ic50 = 10 uM 6XW C25 H32 N6 O4 S CC1=Cc2c(c....
156 6CD5 - R4L C35 H44 N8 O3 CN1CCN(CC1....
157 5I80 Kd = 62 nM 67B C17 H17 N3 O2 CN1C=C(c2c....
158 4O75 ic50 = 21 uM 2RC C23 H26 F N6 O9 P CC1(C(=O)N....
159 5NNF - PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU n/a n/a
160 3ZYU ic50 = 0.1 uM 1GH C23 H21 N5 O3 Cc1c(c(on1....
161 4Z1Q ic50 = 0.015 uM 558 C23 H21 Cl N6 Cc1nnc2n1-....
162 6SA3 Kd = 0.42 uM L2N C23 H30 N4 O5 S Cc1c2c(c([....
163 5IGK Kd = 41.8 nM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
164 5Y1Y ic50 = 0.98 uM HNQ C9 H6 N2 O3 c1cc2c(ccc....
165 5Z5T - 96R C12 H10 N4 O c1cc2c(cc(....
166 6V1U - QMG C20 H19 N3 O2 Cc1ccc(cc1....
167 5KDH Ki = 0.37 uM 6RX C18 H17 N3 O4 CCN1C2=C([....
168 4PS5 ic50 = 0.29 uM 2TA C27 H36 N6 O3 S Cc1cnc(nc1....
169 5D24 Kd = 5.8 uM L26 C18 H21 N3 O4 CCc1c(c([n....
170 5ACY Kd = 6.4 nM 9S3 C30 H35 N3 O C[C@H]1C[C....
171 5HCL ic50 = 6 mM 5Y9 C4 H9 N O CC(=O)N(C)....
172 5COI ic50 = 2.58 uM 55K C20 H22 N2 O5 S CCN1c2ccc(....
173 6UWX Kd = 290 uM QKD C12 H17 N O2 S2 CCOC(=O)N1....
174 5Y8Y Kd = 82 nM 8PX C16 H15 Br N2 O5 S Cc1c2cc(c(....
175 4HXM ic50 = 0.79 uM 1A8 C17 H17 N3 O4 S3 CCCC(=O)Nc....
176 5F62 Kd = 6.8 nM 5W1 C26 H33 Cl F N7 O2 S Cc1cnc(nc1....
177 5D3S Kd = 1.3 uM 579 C20 H24 F N3 O5 S CCc1c(c([n....
178 6YQP ic50 = 1.35 uM P8N C29 H27 Cl N6 O3 S Cc1c(sc-2c....
179 6AJX Kd = 9.1 uM HCC C15 H12 O4 c1cc(ccc1C....
180 4LYW Kd = 237 nM 21Q C20 H27 N3 O5 S CCc1c(c([n....
181 4HBV ic50 = 23 uM 15E C9 H9 Br N2 O CN1Cc2cc(c....
182 5LUU Kd = 8.63 uM 77X C15 H17 N3 O CCC(=O)N1C....
183 4YH3 ic50 = 26 uM Y80 C24 H20 N2 O3 COc1ccc(cc....
184 6AJV Kd = 9.1 uM HCC C15 H12 O4 c1cc(ccc1C....
185 6CZV ic50 = 0.23 uM FOY C17 H16 N2 O2 Cc1c(c(on1....
186 4X2I ic50 = 0.35 uM 3X0 C18 H17 Cl N4 Cc1nnc2n1-....
187 6CJ1 ic50 = 6.31 uM FND C34 H44 N8 O3 CC[C@H](C)....
188 5F5Z Kd = 86 nM 5VY C26 H35 N7 O2 S Cc1cnc(nc1....
189 6UVJ Kd = 20 uM QJ1 C11 H15 N O2 S2 COC(=O)N1C....
190 6FNX ic50 = 12.6 uM DYZ C14 H14 N4 O2 CCn1cnc2c1....
191 4HBY ic50 = 4.4 uM 13F C15 H15 N3 O3 S CN1Cc2cc(c....
192 5D3J Kd = 5.7 uM L33 C20 H27 N3 O4 S CCc1c(c([n....
193 6AJY Kd = 5.3 uM A0R C16 H14 O4 COc1ccccc1....
194 3MUL - GLY GLY BTK ALA PRO ARG LYS GLN n/a n/a
195 4LR6 ic50 = 33 uM 1XA C10 H10 N2 O Cc1c(c(on1....
196 5AD3 Kd = 7.9 nM K6K C26 H30 N10 O3 CN(CCOc1cc....
197 4PCI ic50 = 7.5 uM 2NJ C16 H16 N2 O CN1c2ccccc....
198 5D3T Kd = 12 uM 56Y C19 H23 N3 O3 CCc1c(c([n....
199 6SAH Kd = 0.26 uM L2W C23 H29 N3 O5 S Cc1c2c(c([....
200 5LJ1 ic50 > 0.0000316 M 6XX C28 H35 F2 N5 O3 Cc1cc(cnc1....
201 4O70 ic50 = 19 uM 1QK C21 H29 N6 O2 CCc1cnn2c1....
202 4XY9 Kd = 4651 nM 43U C12 H10 Br N5 O COc1ccc(cc....
203 3MXF - JQ1 C23 H26 Cl N4 O2 S Cc1c(sc-2c....
204 5CFW Kd = 0.78 uM 53W C27 H32 N4 O3 Cc1c(c(on1....
205 5A5S ic50 = 1.3 uM NP8 C20 H23 N5 O2 CC1=Cc2c(c....
206 4UIY ic50 = 0.00000001 M 5V2 C21 H20 F3 N3 O3 S2 CN1C=C(c2c....
207 6PS9 ic50 = 79 uM Y17 C18 H21 N3 O2 CN1C[C@@H]....
208 4LZR Kd = 20 uM LOC C22 H25 N O6 CC(=O)N[C@....
209 6PRT ic50 = 2120 uM OWA C8 H13 N O3 CN1C[C@H](....
210 4BW1 ic50 = 1.26 uM S5B C25 H25 N3 O3 Cc1c(c(on1....
211 6YQO ic50 = 4.53 uM P8Q C33 H36 Cl N7 O4 S Cc1c(sc-2c....
212 4MEN - 25K C15 H17 N5 Cc1ccc(cc1....
213 6CIS ic50 = 0.3 uM X26 C37 H48 N8 O3 CC(C)Oc1cc....
214 6CKR ic50 = 0.05 uM F5V C21 H20 N4 O3 S Cn1cc(cn1)....
215 4UIZ ic50 = 0.00001995 M N1D C22 H25 N3 O6 S2 CN1C=C(c2c....
216 5KJ0 ic50 = 130 nM 6TB C29 H41 N7 O3 CC[C@@H]1C....
217 4KV1 - THR PHE ALY SER ILE MET LYS n/a n/a
218 5EGU Kd = 1.4 uM 5NQ C23 H32 N8 O2 S CCCCc1c(nc....
219 5Y8Z ic50 = 0.62 uM 8Q3 C16 H15 Br N2 O4 S Cc1cc2c(cc....
220 6VUB ic50 = 629 uM RLG C11 H13 N O CN1C[C@H](....
221 4BW3 ic50 = 501 nM 9BM C25 H26 N4 O4 Cc1c(c(on1....
222 3U5K - 08J C18 H13 Cl F N3 Cc1ncc2n1-....
223 6FGH - 6RZ C10 H16 N2 O2 S Cc1c(cccn1....
224 6FG6 - D8Q C9 H13 N3 O2 CN1C=C(C=C....
225 6FGG Kd = 17 uM D9B C18 H20 N4 O4 CN1C=C(C=C....
226 5MGJ Kd = 51 uM 7MX C9 H10 Cl N O3 CCOC(=O)C1....
227 6FGV - D9T C14 H21 N3 O2 CN1C=C(C=C....
228 6FGL ic50 = 24 uM UO1 C19 H18 N2 O3 Cc1ccc(cc1....
229 5OR8 - JR4 C17 H18 F N3 O3 S Cc1cc2c(cc....
230 5FE0 - ALY C8 H16 N2 O3 CC(=O)NCCC....
231 5LVR Kd = 250 uM 78Y C10 H10 N4 O Cc1c(nn(n1....
232 5FDZ Kd = 6.8 uM 5X0 C21 H24 N2 O5 CNC(=O)c1c....
233 5FE1 - 12Q C10 H9 N O CN1c2ccccc....
234 5FE6 Kd = 6910 uM 5WZ C9 H16 N2 O C1CC1C(=O)....
235 5FE2 - 5WV C9 H9 N O CN1Cc2cccc....
236 5FE7 Kd = 488 uM 5WU C10 H14 N2 O2 Cc1c2c(n(n....
237 5FE8 - 5WT C13 H14 N2 O2 CC1=CC(=O)....
238 5FE4 - 5WY C9 H9 N O3 c1cc(c2c(c....
239 5FE9 Kd = 20.98 uM 5WS C12 H14 N2 O3 S CC1=CC(=O)....
240 5FE5 - 2QC C9 H9 N3 S c1cc(ccc1C....
241 5MKX ic50 = 20 uM 82I C6 H8 Cl N3 O CNC1=C(C(=....
242 5LVQ Kd = 73 uM 2LX C13 H17 N O3 CNC(=O)c1c....
243 5FE3 - 5WX C8 H8 N2 O2 COc1cccc2c....
244 6C7Q - EO1 C25 H23 N7 O2 Cc1c(c(on1....
245 2YEM ic50 = 15.5 nM WSH C25 H21 N5 O2 Cc1nnc2n1-....
246 5JWM ic50 = 3.09 nM 6ON C54 H66 Cl2 N10 O9 S2 Cc1c(sc-2c....
247 5UOO Ki = 1.4 nM 8FV C26 H21 N5 O2 Cc1c(c(on1....
248 3QZS Kd = 99 uM LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL n/a n/a
249 3QZT - LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL n/a n/a
250 5U6V ic50 = 21 nM 7WY C22 H19 Cl N6 Cc1c-2n(nn....
251 5O3A - 31P C23 H23 Cl N4 O3 CC[C@H]([C....
252 5DFD - 59E C23 H21 N5 O3 Cc1nnc2n1-....
253 5XHK - LDR C13 H9 N O c1ccc2c(c1....
254 5O3D - 9J5 C23 H23 Cl N4 O3 CC[C@H]([C....
255 6YTM Kd = 65 nM PMW C22 H25 Cl N4 O2 S CC[C@H]([C....
256 6VIY Ki = 1.1 nM QYY C27 H29 N3 O5 S CCNC(=O)c1....
257 5IG6 Kd = 213.7 uM 6B3 C27 H18 N2 O4 c1ccc2c(c1....
258 5O3G - 9J8 C25 H26 Cl N5 O2 CCNC(=O)[C....
259 4J1P Kd = 0.206 uM 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
260 5O3I - 9HN C27 H29 Cl N4 O3 Cc1nnc2n1-....
261 5UEW - 87D C20 H20 N2 O5 S CN1C=C(C(=....
262 5O3B - 9HZ C24 H23 Cl N4 O3 Cc1nnc2n1-....
263 5O3E - 9HW C23 H24 Cl N5 O2 CCNC(=O)[C....
264 3ONI - JQ1 C23 H26 Cl N4 O2 S Cc1c(sc-2c....
265 6K04 Ki = 3.1 nM CQF C22 H21 Cl N6 Cc1nnc2n1-....
266 5O39 - 31O C22 H21 Cl N4 O3 Cc1nnc2n1-....
267 5O3H - 9HQ C23 H24 Cl N5 O2 CCNC(=O)[C....
268 5O3C - 9J2 C22 H21 Cl N4 O3 Cc1nnc2n1-....
269 4MR6 - 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
270 6MOA Kd = 2.5 nM JW4 C25 H22 N4 O Cc1ccc2c(c....
271 5DW1 ic50 = 0.08 uM 5GD C24 H29 N3 O4 Cc1cc(cc(c....
272 5DFC - EAM C22 H22 Cl N5 O2 CCNC(=O)C[....
273 4MR5 - 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
274 5O3F - 9HT C24 H26 Cl N5 O2 CC[C@H]([C....
275 2WP1 - LYS ALA PRO ARG ALY GLN LEU ALA THR LYS n/a n/a
276 4FLP Kd = 190.1 nM JQ1 C23 H26 Cl N4 O2 S Cc1c(sc-2c....
277 4KCX Kd = 37 uM 1QK C21 H29 N6 O2 CCc1cnn2c1....
278 4A9I - P9I C15 H13 N2 O C/C(=C/1C=....
279 4UYH ic50 = 0.00000001 M 9S3 C30 H35 N3 O C[C@H]1C[C....
280 4A9H - TVP C12 H15 N O C[C@H]1CCc....
281 4A9F - MB3 C5 H9 N O CN1CCCC1=O
282 4ALG ic50 = 0.5 uM 1GH C23 H21 N5 O3 Cc1c(c(on1....
283 2YEK ic50 = 32.5 nM EAM C22 H22 Cl N5 O2 CCNC(=O)C[....
284 2YDW Kd = 46 nM WSH C25 H21 N5 O2 Cc1nnc2n1-....
285 4A9J - TYL C8 H9 N O2 CC(=O)Nc1c....
286 4A9M ic50 = 0.5 uM P9M C17 H22 N2 O3 S Cc1ccc(cc1....
287 4ALH - A9P C11 H11 N O Cc1c(c(on1....
288 4A9E - 3PF C9 H10 N2 O CN1Cc2cccc....
289 4A9O - A9O C12 H13 N O CCc1c(c(no....
290 4AKN ic50 = 0.79 uM S5B C25 H25 N3 O3 Cc1c(c(on1....
291 4A9N ic50 = 1.5 uM A9N C15 H16 N2 O3 S Cc1ccc(cc1....
292 4KV4 - THR PHE ALY SER ILE MET LYS n/a n/a
293 5UEZ Ki = 970 nM 89G C18 H16 N2 O3 CN1C(=O)C=....
294 6VIX Ki = 1.3 nM QYV C24 H21 F2 N3 O5 S CCNC(=O)c1....
295 5UF0 Ki = 160 uM 89J C12 H13 N3 O CNC1=CC(=O....
296 5UEU - 0S6 C20 H19 Cl N4 O2 S Cc1c(sc-2c....
297 4Z93 Kd = 44.6 nM 4LD C24 H23 N5 O2 Cc1c(c(n[n....
298 5UEY Ki = 5.1 nM 88M C22 H24 F2 N2 O5 S CCOC1=CC(=....
299 5UEX Ki = 1.5 nM 89D C24 H26 F2 N2 O5 S CCS(Nc1ccc....
300 5I8B ic50 = 0.11 uM 69F C23 H22 N2 O2 C[C@@H]1CC....
301 5I8G Kd = 0.03 uM 69E C22 H22 N6 O C[C@@H]1CC....
302 5N18 Kd = 2.1 uM 8HZ C21 H19 N3 O Cc1ccc(cc1....
303 5MLJ Ki = 1.4 nM 9ST C17 H21 Br N4 O CN1C[C@H](....
304 6J3P Kd = 105 nM B8O C21 H25 N5 O3 CN1C[C@H](....
305 6AXQ ic50 = 99000 nM C2Y C10 H9 N O2 COC(=O)c1c....
306 5DBM Kd = 0.35 uM 58N C17 H22 N4 O C[C@@H]1CC....
307 5LPM Kd = 2.77 uM 71Y C20 H23 Cl N2 O3 CCc1c(c([n....
308 5NRW - 96N C21 H22 N2 O2 CCc1c(c([n....
309 3P1D - MB3 C5 H9 N O CN1CCCC1=O
310 5LPJ Kd = 10.1 uM XDM C17 H19 Cl N2 O2 CCc1c(c([n....
311 6FQO ic50 = 0.14 uM E2T C26 H24 N2 O6 CCOc1ccc(c....
312 4TQN Kd = 0.77 uM UL4 C18 H17 N O5 CCOc1ccc(c....
313 6FRF ic50 = 0.04 uM E3T C26 H24 N2 O5 CCOc1ccc(c....
314 5TB6 Kd = 1.53 uM 77X C15 H17 N3 O CCC(=O)N1C....
315 5MQK - QPR C11 H11 N O CC(=O)c1cn....
316 5MQG - F31 C9 H11 N O2 CC(=O)c1cc....
317 5I83 ic50 = 4.1 uM 68Y C18 H20 N2 O2 C[C@@H]1CC....
318 4A9K - TYL C8 H9 N O2 CC(=O)Nc1c....
319 5I86 ic50 = 0.53 uM 69A C18 H19 N3 O2 C[C@@H]1CC....
320 6FR0 ic50 = 0.146 uM E3H C27 H26 N2 O6 CCN1C(=O)C....
321 5NU5 Kd = 0.47 uM 99E C21 H22 N2 O4 CCc1c(c([n....
322 5LPK Kd = 3.06 uM XDM C17 H19 Cl N2 O2 CCc1c(c([n....
323 5MME Kd = 1.4 uM 8Q6 C20 H21 N O6 CCOc1ccc(c....
324 5I89 ic50 = 0.033 uM 69B C21 H22 N4 O C[C@@H]1CC....
325 5NU3 Kd = 0.23 uM 99E C21 H22 N2 O4 CCc1c(c([n....
326 5OWK - 7MX C9 H10 Cl N O3 CCOC(=O)C1....
327 6AY5 ic50 = 69 nM C3V C22 H20 F2 N4 O S Cn1cc(cn1)....
328 5LPL Kd = 12 uM 71X C20 H23 Cl N2 O3 CCc1c(c([n....
329 6FQU ic50 = 2.2 uM E3B C21 H23 F2 N O2 CCOc1ccc(c....
330 6DMK - 2LL C26 H30 N4 O2 Cc1c(c(on1....
331 5MMG Kd = 0.97 uM UT0 C19 H20 N2 O4 S CCOc1ccc(c....
332 5MPN Kd = 0.085 uM YE5 C17 H16 N4 O2 CCOc1ccc(c....
333 5J0D Kd = 134 nM 6F9 C27 H35 N3 O5 CCC(=O)N1C....
334 6AY3 ic50 = 9.5 nM C3J C24 H23 F2 N5 O CNC(=O)c1c....
335 5MPK Kd = 0.003 uM 0BC C21 H18 N6 O3 S CCOc1ccc(c....
336 5CGP Kd = 0.12 uM 53W C27 H32 N4 O3 Cc1c(c(on1....
337 4BJX ic50 = 22 nM 73B C25 H23 Cl N2 O3 C[C@H]1C[C....
338 4UYD ic50 = 79.4 uM V1T C10 H11 N3 O2 CN1c2ccc(c....
339 4XUB ic50 = 1.07 uM 43D C19 H18 N8 Cc1cn(nn1)....
340 4XUA ic50 = 26 uM 43C C21 H18 N6 Cc1cn(nn1)....
341 5MGF Kd = 54 uM 7MW C9 H11 N O3 CCC(=O)c1c....
342 5E9I - F60 C8 H7 N O c1cc(cc2c1....
343 6FGT - D9T C14 H21 N3 O2 CN1C=C(C=C....
344 4NRB ic50 = 38 uM 2LX C13 H17 N O3 CNC(=O)c1c....
345 6FH6 - D8Q C9 H13 N3 O2 CN1C=C(C=C....
346 5MGG - 7MU C7 H7 Cl N2 O CNC(=O)c1c....
347 5ORB - JR6 C16 H19 N3 O2 S Cn1c(c2c(n....
348 4NRC ic50 = 241 uM 2LY C8 H9 N O3 S CNC(=O)c1c....
349 6FH7 - EN2 C17 H18 F N3 O3 CN1C=C(C=C....
350 5E9K - 5KX C3 H3 Cl N2 c1cnc([nH]....
351 4NRA Kd = 65 uM 2LW C13 H13 Cl N2 O CC(=O)N1CC....
352 5MGE Kd = 87 uM 7MX C9 H10 Cl N O3 CCOC(=O)C1....
353 4NR9 - ALY C8 H16 N2 O3 CC(=O)NCCC....
354 5E9L - 6AI C7 H7 N3 c1cc2cn[nH....
355 5OR9 ic50 = 88 uM JR5 C18 H21 F N4 O3 S Cn1c(c2c(n....
356 5E74 Kd = 39 uM 5KH C25 H19 F3 N2 O3 Cc1ccc(cc1....
357 5E9M - BAE C6 H13 N O CC(C)(C)C(....
358 6FGU - D9Q C13 H19 N3 O2 CN1C=C(C=C....
359 5DYX - ADE C5 H5 N5 c1[nH]c2c(....
360 5DYU - MZ0 C4 H6 N2 O c1c([nH]cn....
361 5E73 Kd = 23 uM UO1 C19 H18 N2 O3 Cc1ccc(cc1....
362 7K6R - 9ST C17 H21 Br N4 O CN1C[C@H](....
363 7KDW - WCV C20 H21 N5 O C#CCNc1ncc....
364 7KDZ - WCS C22 H30 N6 O3 S CN(C)CCCOc....
365 7K6S - VYM C13 H16 N2 O c1cc2c(cc1....
366 5A7C ic50 = 0.00018 M 5D4 C10 H20 N2 O2 CC(=O)NCCC....
367 5TPX Kd = 280 nM 7H7 C21 H24 N6 Cc1nnc2n1n....
368 6MO8 - JWD C19 H17 N3 O2 Cc1c(c(on1....
369 6ONY - HWV C28 H30 F N3 O4 CCNC(=O)c1....
370 6JKE - BUX C13 H6 Cl2 N2 O4 c1cc(cc(c1....
371 6MO7 - JWA C19 H25 N3 O4 S Cc1ccc(cc1....
372 6MO9 - JVY C19 H21 N3 O3 S Cc1c(c(on1....
373 3AQA - BYH C17 H16 N4 S2 CN1c2ccccc....
374 6K05 Ki = 95.5 nM CQF C22 H21 Cl N6 Cc1nnc2n1-....
375 5WUU ic50 = 0.81 uM 7UU C18 H18 N2 O3 S CN(CCCNC1=....
376 5N17 Kd = 4.8 uM 8FK C19 H18 N2 O3 S CN1c2ccc(c....
377 5N16 Kd = 5 uM 8FN C22 H15 N5 O2 S c1ccc2c(c1....
378 6VIZ Ki = 120 nM QYY C27 H29 N3 O5 S CCNC(=O)c1....
379 6VIW Ki = 21.6 nM QYV C24 H21 F2 N3 O5 S CCNC(=O)c1....
380 5XXH ic50 = 6.8 uM E0D C18 H20 N2 O4 CC(=O)c1cn....
381 5ML0 - P2L C11 H17 Cl N4 O CN1CCC[C@H....
382 5W0L ic50 = 1.1 nM 9UD C27 H32 F2 N6 O2 CC(=O)N1CC....
383 5W0F ic50 = 16 nM 9U7 C25 H30 N6 O2 CC(=O)N1CC....
384 5W0E ic50 = 0.94 nM 9U4 C27 H33 F2 N7 O2 CNC(=O)N1C....
385 5W0Q ic50 = 18 uM 9UG C12 H16 N2 O2 Cc1ccc2c(c....
386 5W0I ic50 = 1.4 nM 9UA C26 H30 F2 N6 O2 CC(=O)N1CC....
387 5VOM ic50 = 0.79 uM 9GY C24 H23 N3 O4 C[C@H]1CN(....
388 2RI7 - ALA ARG THR MLY GLN THR ALA ARG LYS n/a n/a
389 6J3O Kd = 2.4 uM B4L C13 H19 N5 O CN1CCC[C@H....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5WX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 5WX 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 5WX; Similar ligands found: 1001
No: Ligand Similarity coefficient
1 YSO 1.0000
2 DBJ 0.9891
3 G3F 0.9847
4 BGC 0.9797
5 HLZ 0.9769
6 7VS 0.9759
7 M0Q 0.9743
8 EQT 0.9739
9 GCS 0.9735
10 M1H 0.9717
11 M0W 0.9698
12 4XH 0.9687
13 3DO 0.9682
14 LGC 0.9677
15 HH8 0.9677
16 8S0 0.9675
17 GLC 0.9670
18 XQG 0.9647
19 M1E 0.9642
20 ES4 0.9638
21 5Q0 0.9634
22 PM6 0.9631
23 B60 0.9626
24 ADE 0.9624
25 2MN 0.9614
26 4YS 0.9604
27 5WY 0.9602
28 ES1 0.9602
29 7HQ 0.9602
30 7HP 0.9594
31 JBH 0.9589
32 KBG 0.9586
33 7ZE 0.9586
34 5SG 0.9586
35 6MP 0.9585
36 JPZ 0.9585
37 3WA 0.9581
38 HQY 0.9581
39 HZQ 0.9580
40 BP1 0.9578
41 Q6T 0.9570
42 NTZ 0.9570
43 12B 0.9569
44 9HX 0.9565
45 5IQ 0.9564
46 9MG 0.9563
47 AKH 0.9562
48 SHG 0.9560
49 7B4 0.9556
50 GIM 0.9554
51 1LQ 0.9554
52 2ZQ 0.9553
53 ADZ 0.9552
54 MT0 0.9551
55 I3A 0.9550
56 N5J 0.9549
57 1SQ 0.9548
58 HJP 0.9547
59 HPA 0.9541
60 GUN 0.9541
61 BTE 0.9540
62 7NI 0.9538
63 3MG 0.9536
64 MAQ 0.9536
65 ADK 0.9536
66 7WA 0.9535
67 10L 0.9534
68 42C 0.9534
69 9DA 0.9532
70 LZM 0.9532
71 DHQ 0.9530
72 39A 0.9529
73 PXL 0.9527
74 32X 0.9526
75 495 0.9525
76 24W 0.9525
77 HTP 0.9525
78 XYP 0.9524
79 JBQ 0.9520
80 XAN 0.9517
81 1XN 0.9512
82 PFB 0.9511
83 9DG 0.9510
84 42A 0.9508
85 7B3 0.9507
86 RM1 0.9502
87 PE0 0.9499
88 AZA 0.9499
89 AEZ 0.9498
90 G6D 0.9496
91 UAN 0.9494
92 1NP 0.9490
93 FOT 0.9486
94 CFP 0.9485
95 25W 0.9484
96 GAL 0.9479
97 AZ8 0.9478
98 UNC 0.9475
99 YH7 0.9474
100 NID 0.9470
101 BMA 0.9470
102 0W8 0.9465
103 D07 0.9464
104 KIB 0.9464
105 94B 0.9463
106 JUG 0.9460
107 IJZ 0.9459
108 IGA 0.9459
109 ALL 0.9458
110 1XM 0.9458
111 TTY 0.9458
112 BOA 0.9456
113 6AP 0.9455
114 BK9 0.9455
115 141 0.9452
116 680 0.9450
117 A2F 0.9446
118 ISE 0.9446
119 23A 0.9445
120 7VJ 0.9440
121 SVN 0.9440
122 AZG 0.9438
123 290 0.9438
124 DFB 0.9438
125 UEG 0.9432
126 ASO 0.9430
127 MEW 0.9427
128 3MA 0.9425
129 G1O 0.9416
130 IFM 0.9413
131 M1A 0.9405
132 GIO 0.9405
133 PYQ 0.9404
134 M5K 0.9403
135 DIE 0.9403
136 L3Q 0.9402
137 WOO 0.9400
138 AQO 0.9400
139 GLT 0.9389
140 MAN 0.9389
141 4HC 0.9388
142 DX4 0.9386
143 NDM 0.9386
144 INE 0.9384
145 AJV 0.9382
146 QPR 0.9380
147 0CU 0.9379
148 DPZ 0.9377
149 Q24 0.9377
150 2ZV 0.9377
151 NOJ 0.9377
152 SWA 0.9375
153 6M4 0.9375
154 ZVO 0.9374
155 M6N 0.9374
156 P3K 0.9373
157 SRO 0.9372
158 FDB 0.9370
159 F5B 0.9369
160 NTM 0.9368
161 LXC 0.9366
162 3M0 0.9365
163 IFL 0.9364
164 SAL 0.9363
165 6GU 0.9362
166 LSA 0.9362
167 GRE 0.9360
168 BCP 0.9357
169 6F0 0.9357
170 J9W 0.9356
171 PXM 0.9356
172 GTZ 0.9355
173 LCN 0.9355
174 0P6 0.9352
175 Q88 0.9350
176 6CS 0.9349
177 G2F 0.9347
178 6M1 0.9340
179 AJ2 0.9340
180 8XQ 0.9339
181 C2U 0.9339
182 1LM 0.9339
183 EA1 0.9338
184 67N 0.9334
185 948 0.9333
186 GOG 0.9333
187 F05 0.9332
188 HH5 0.9330
189 6M9 0.9329
190 HNQ 0.9324
191 329 0.9324
192 GOO 0.9323
193 HA7 0.9322
194 SOR 0.9321
195 G5V 0.9320
196 MVL 0.9320
197 MUA 0.9319
198 OXZ 0.9319
199 CWS 0.9318
200 4ME 0.9318
201 INS 0.9317
202 82I 0.9317
203 BCF 0.9317
204 KKN 0.9316
205 VNL 0.9316
206 8CM 0.9315
207 NQ 0.9314
208 54G 0.9313
209 9EW 0.9313
210 R8V 0.9313
211 HFB 0.9312
212 RXA 0.9312
213 HHA 0.9310
214 5M0 0.9310
215 FBG 0.9309
216 RAM 0.9306
217 PQ0 0.9306
218 B57 0.9304
219 2H5 0.9304
220 M1Q 0.9301
221 5MK 0.9300
222 NOY 0.9298
223 AIN 0.9296
224 BBF 0.9296
225 BDP 0.9296
226 GTQ 0.9295
227 TEP 0.9294
228 A7W 0.9294
229 KJY 0.9293
230 GCU 0.9288
231 TFU 0.9285
232 GT0 0.9285
233 ZWZ 0.9285
234 PRF 0.9284
235 12Q 0.9282
236 KIA 0.9280
237 KUF 0.9280
238 FBT 0.9279
239 EXO 0.9275
240 2EC 0.9274
241 0RW 0.9272
242 2D0 0.9272
243 5RG 0.9271
244 KYD 0.9271
245 3U4 0.9270
246 FUL 0.9270
247 PHT 0.9268
248 KLW 0.9267
249 5RN 0.9265
250 ICO 0.9264
251 F0J 0.9263
252 BE2 0.9262
253 DMJ 0.9260
254 KJH 0.9257
255 3Z8 0.9257
256 KT7 0.9255
257 IBF 0.9254
258 3RK 0.9253
259 SX1 0.9253
260 HQT 0.9251
261 MNM 0.9249
262 XYS 0.9247
263 MSN 0.9246
264 4SV 0.9243
265 12M 0.9243
266 1WD 0.9242
267 ES0 0.9242
268 0LH 0.9241
269 HLR 0.9241
270 B53 0.9240
271 ISN 0.9240
272 F81 0.9239
273 7W1 0.9238
274 3DM 0.9237
275 5NE 0.9237
276 FLV 0.9237
277 XXR 0.9237
278 AZ9 0.9235
279 5QX 0.9233
280 226 0.9233
281 5B1 0.9232
282 N8Y 0.9231
283 GCB 0.9230
284 MRW 0.9230
285 VK3 0.9230
286 AZF 0.9230
287 NMJ 0.9229
288 GOX 0.9229
289 1P7 0.9227
290 2FG 0.9227
291 FYU 0.9227
292 X09 0.9225
293 TOF 0.9225
294 CWM 0.9224
295 1GN 0.9220
296 O72 0.9219
297 6VD 0.9219
298 7W4 0.9218
299 3HA 0.9217
300 ZB1 0.9217
301 SKA 0.9217
302 APZ 0.9215
303 64K 0.9214
304 TVP 0.9214
305 MMA 0.9212
306 JKE 0.9212
307 ES7 0.9210
308 O2A 0.9209
309 X05 0.9207
310 FUC 0.9205
311 SHA 0.9205
312 DRL 0.9203
313 3IT 0.9201
314 DBH 0.9201
315 GCW 0.9201
316 8IG 0.9201
317 DQN 0.9200
318 UQ 0.9199
319 NDH 0.9199
320 DEE 0.9199
321 CFF 0.9198
322 FE DB1 0.9198
323 HXX 0.9197
324 3F0 0.9195
325 SJ5 0.9193
326 ES6 0.9192
327 5OB 0.9192
328 JBK 0.9192
329 75K 0.9192
330 4M4 0.9191
331 EUG 0.9191
332 DIN 0.9190
333 15L 0.9189
334 FH2 0.9183
335 AHR 0.9181
336 MFB 0.9180
337 URC 0.9179
338 EVA 0.9177
339 ZZ8 0.9177
340 MHK 0.9176
341 BTY 0.9173
342 MO8 0.9172
343 OA3 0.9169
344 B55 0.9169
345 V55 0.9168
346 GLA 0.9167
347 18N 0.9167
348 7WV 0.9165
349 3R6 0.9164
350 9KT 0.9164
351 GIV 0.9163
352 CTL 0.9162
353 HQD 0.9162
354 XHP 0.9162
355 DIU 0.9158
356 9TZ 0.9157
357 37T 0.9156
358 KP6 0.9156
359 GLF 0.9155
360 X8D 0.9155
361 MBD 0.9155
362 FDK 0.9153
363 PCI 0.9152
364 X6X 0.9151
365 5WV 0.9151
366 4HM 0.9151
367 8GK 0.9150
368 QX2 0.9149
369 RPQ 0.9148
370 D3M 0.9148
371 FCB 0.9146
372 HMU 0.9146
373 Q7A 0.9145
374 260 0.9145
375 QWW 0.9144
376 OXC 0.9143
377 F12 0.9143
378 3MB 0.9141
379 VNJ 0.9139
380 SR4 0.9138
381 MBG 0.9138
382 209 0.9137
383 DOR 0.9136
384 TTL 0.9136
385 F3B 0.9136
386 SWD 0.9135
387 92K 0.9135
388 M3S 0.9135
389 XQ0 0.9134
390 NVU 0.9133
391 MT5 0.9131
392 H33 0.9131
393 2AK 0.9129
394 3CE 0.9128
395 JZ3 0.9127
396 5XC 0.9126
397 B62 0.9126
398 149 0.9124
399 6BL 0.9124
400 RSF 0.9123
401 PYG 0.9123
402 JIF 0.9123
403 TSR 0.9122
404 5JQ 0.9122
405 ARB 0.9120
406 44V 0.9119
407 3NT 0.9119
408 OVM 0.9119
409 4CS 0.9117
410 86J 0.9116
411 PA1 0.9115
412 FCA 0.9114
413 BEA 0.9114
414 8TX 0.9114
415 5JL 0.9112
416 JXN 0.9112
417 M2K 0.9112
418 6AI 0.9112
419 TSS 0.9111
420 E7Z 0.9111
421 R8S 0.9110
422 COU 0.9107
423 3MH 0.9105
424 06B 0.9105
425 5NU 0.9104
426 1WG 0.9103
427 3MC 0.9103
428 MFU 0.9102
429 FP1 0.9101
430 SYA 0.9101
431 BZ3 0.9101
432 FUF 0.9099
433 JB5 0.9098
434 OW4 0.9096
435 ENL 0.9095
436 6MH 0.9093
437 NPY 0.9093
438 XAZ 0.9091
439 FLM 0.9091
440 2CM 0.9090
441 TM4 0.9090
442 ASC 0.9089
443 MIG 0.9088
444 IV2 0.9087
445 RM4 0.9086
446 BZX 0.9086
447 0N7 0.9084
448 ARA 0.9084
449 IPZ 0.9083
450 2KA 0.9082
451 03V 0.9082
452 ORO 0.9082
453 24B 0.9082
454 ES9 0.9081
455 QUZ 0.9079
456 4JT 0.9078
457 PRZ 0.9078
458 JKZ 0.9077
459 CTS 0.9076
460 GMN 0.9075
461 44W 0.9073
462 286 0.9071
463 2LP 0.9070
464 4MU 0.9070
465 3CU 0.9069
466 261 0.9069
467 GV9 0.9069
468 JXW 0.9068
469 BDF 0.9067
470 YQA 0.9067
471 2C9 0.9067
472 LI6 0.9066
473 5RO 0.9066
474 7MH 0.9066
475 5MB 0.9066
476 Z5P 0.9066
477 SOE 0.9064
478 AFR 0.9064
479 8GC 0.9064
480 KFH 0.9064
481 DHK 0.9061
482 2HQ 0.9061
483 3FA 0.9060
484 LYL 0.9059
485 2CK 0.9059
486 I6G 0.9058
487 PDC 0.9058
488 1U6 0.9057
489 2CQ 0.9055
490 2AQ 0.9054
491 5WU 0.9054
492 T6C 0.9053
493 DNF 0.9053
494 JZ9 0.9053
495 4KL 0.9051
496 NK 0.9051
497 35C 0.9051
498 GJS 0.9050
499 SXS 0.9050
500 0R0 0.9048
501 FFP 0.9048
502 APS 0.9048
503 ES5 0.9047
504 5CU 0.9047
505 QM1 0.9047
506 GBD 0.9045
507 6ME 0.9045
508 3C1 0.9044
509 5NS 0.9044
510 2MY 0.9043
511 4FS 0.9042
512 0JD 0.9041
513 45C 0.9041
514 GM7 0.9041
515 QBK 0.9040
516 5MI 0.9039
517 1DW 0.9037
518 NLA 0.9036
519 3Z7 0.9035
520 N8P 0.9035
521 DUB 0.9034
522 OCH 0.9034
523 DQU 0.9033
524 3C2 0.9033
525 NGO 0.9032
526 OTW 0.9032
527 AMG 0.9030
528 95Z 0.9028
529 28N 0.9027
530 FHN 0.9027
531 JU2 0.9026
532 LT2 0.9025
533 MVN 0.9023
534 DMD 0.9023
535 0FO 0.9023
536 4ZC 0.9022
537 11S 0.9021
538 EJZ 0.9021
539 I1N 0.9021
540 2K4 0.9019
541 8H8 0.9017
542 KOJ 0.9016
543 H4N 0.9016
544 0CT 0.9016
545 FPK 0.9015
546 2LY 0.9014
547 3SK 0.9014
548 3ID 0.9013
549 FK1 0.9013
550 QAS 0.9013
551 QWN 0.9013
552 4TU 0.9012
553 WCE 0.9012
554 GAF 0.9010
555 JFD 0.9010
556 GAB 0.9009
557 SFU 0.9006
558 OXQ 0.9006
559 II6 0.9005
560 IBM 0.9005
561 S76 0.9004
562 5HN 0.9004
563 GTL 0.9003
564 EYK 0.9000
565 BHO 0.9000
566 F60 0.8997
567 3HB 0.8997
568 0MK 0.8997
569 PHH 0.8995
570 GZ8 0.8995
571 IND 0.8994
572 150 0.8994
573 6KX 0.8992
574 QAT 0.8992
575 LZ2 0.8991
576 HMH 0.8990
577 34D 0.8990
578 5H1 0.8989
579 14O 0.8989
580 5CL 0.8988
581 23J 0.8988
582 3BZ 0.8987
583 GXL 0.8987
584 AW5 0.8987
585 FA0 0.8987
586 H42 0.8986
587 CLZ 0.8983
588 GYE 0.8981
589 DOB 0.8980
590 3AB 0.8980
591 RNS 0.8980
592 MA3 0.8979
593 OVV 0.8977
594 OMD 0.8977
595 BZF 0.8977
596 BRT 0.8975
597 3RI 0.8975
598 RIB 0.8974
599 DNC 0.8973
600 NSP 0.8971
601 1X7 0.8971
602 GVH 0.8971
603 6LW 0.8967
604 BNT 0.8967
605 0TR 0.8965
606 MR1 0.8964
607 YTB 0.8963
608 BHA 0.8962
609 BZI 0.8962
610 C2Y 0.8961
611 ADA 0.8960
612 KYA 0.8960
613 PX7 0.8959
614 0R1 0.8958
615 3GQ 0.8957
616 EMZ 0.8957
617 4Z4 0.8956
618 2CL 0.8955
619 4AA 0.8954
620 YIO 0.8954
621 S3B 0.8954
622 GTR 0.8953
623 MPI 0.8952
624 60P 0.8951
625 4M0 0.8951
626 2XX 0.8950
627 LKA 0.8950
628 IDM 0.8948
629 CN0 0.8948
630 NEQ 0.8945
631 K3Q 0.8944
632 K17 0.8944
633 QXW 0.8944
634 DEN 0.8942
635 LZ1 0.8942
636 8HC 0.8940
637 8NY 0.8940
638 2FY 0.8940
639 GXY 0.8939
640 PH2 0.8939
641 2A7 0.8937
642 92P 0.8937
643 EOL 0.8936
644 ZZT 0.8936
645 4JP 0.8935
646 7WR 0.8934
647 2SX 0.8933
648 GAG 0.8931
649 8WT 0.8930
650 TBS 0.8927
651 F4Z 0.8927
652 091 0.8924
653 URF 0.8922
654 RD4 0.8920
655 7CZ 0.8920
656 MS9 0.8919
657 G4D 0.8919
658 TH7 0.8919
659 JTH 0.8918
660 ODO 0.8918
661 GDE 0.8917
662 293 0.8916
663 BSX 0.8916
664 GCV 0.8915
665 JZ1 0.8915
666 RIP 0.8914
667 TC7 0.8913
668 PEY 0.8911
669 ARW 0.8911
670 1P3 0.8909
671 GLY PRO 0.8908
672 IAC 0.8908
673 FXH 0.8907
674 DBX 0.8906
675 JAE 0.8906
676 F9Y 0.8906
677 NCD 0.8905
678 8ZE 0.8905
679 V6F 0.8903
680 1KP 0.8903
681 SYV 0.8902
682 SEJ 0.8902
683 53C 0.8900
684 9PY 0.8900
685 MWP 0.8899
686 ZZ3 0.8898
687 BCU 0.8896
688 D1X 0.8895
689 3FH 0.8895
690 VOH 0.8894
691 PRY 0.8893
692 HHR 0.8892
693 GYP 0.8890
694 QX4 0.8889
695 94N 0.8888
696 ARP 0.8883
697 JZ4 0.8881
698 WBU 0.8879
699 BSP 0.8878
700 CGB 0.8878
701 3R9 0.8877
702 N2I 0.8877
703 CKX 0.8877
704 7D2 0.8875
705 FBV 0.8875
706 R8A 0.8869
707 3XX 0.8869
708 IP0 0.8868
709 MZB 0.8865
710 LFR 0.8864
711 BR8 0.8864
712 K5W 0.8862
713 UFO 0.8861
714 H76 0.8860
715 TLA 0.8858
716 P9P 0.8857
717 FRU 0.8856
718 4ZE 0.8855
719 ZYR 0.8854
720 FSW 0.8851
721 HY3 0.8850
722 A65 0.8847
723 HLD 0.8846
724 4PW 0.8845
725 A13 0.8843
726 N7P 0.8843
727 1PT 0.8842
728 KIF 0.8838
729 4XV 0.8837
730 GZL 0.8835
731 MQB 0.8835
732 PAF 0.8833
733 VGD 0.8833
734 L7T 0.8833
735 5GU 0.8832
736 XYL 0.8831
737 67X 0.8831
738 TAR 0.8828
739 6UA 0.8827
740 9KH 0.8826
741 FB1 0.8825
742 GSY 0.8825
743 1P8 0.8824
744 AGK 0.8823
745 MXN 0.8823
746 TDR 0.8821
747 5QY 0.8821
748 WDL 0.8820
749 36R 0.8819
750 AX2 0.8818
751 2YU 0.8818
752 DFU 0.8817
753 MWM 0.8815
754 5ZE 0.8815
755 1XX 0.8813
756 270 0.8813
757 2DR 0.8812
758 PFL 0.8812
759 MCT 0.8811
760 13X 0.8811
761 ABE 0.8810
762 G3E 0.8810
763 2ZX 0.8809
764 6DP 0.8808
765 A1U 0.8807
766 TM7 0.8806
767 K6X 0.8805
768 4CL 0.8804
769 0FK 0.8804
770 KGK 0.8802
771 KPL 0.8801
772 64C 0.8799
773 3AY 0.8799
774 4HO 0.8798
775 HT4 0.8798
776 TBP 0.8797
777 FDR 0.8796
778 3OC 0.8796
779 CFI 0.8795
780 KJU 0.8795
781 4JJ 0.8794
782 M4E 0.8792
783 QOS 0.8790
784 AX7 0.8790
785 MYJ 0.8788
786 GIF 0.8787
787 27Y 0.8786
788 1U1 0.8786
789 KBB 0.8785
790 GCO 0.8783
791 XM0 0.8782
792 CLW 0.8782
793 FUB 0.8782
794 F31 0.8782
795 K8X 0.8782
796 9AP 0.8781
797 DGJ 0.8780
798 G12 0.8779
799 LDP 0.8778
800 43M 0.8778
801 9R5 0.8777
802 B0D 0.8776
803 Q77 0.8775
804 HKD 0.8774
805 275 0.8774
806 4VS 0.8773
807 W81 0.8773
808 2MP 0.8772
809 M3Q 0.8771
810 BEZ 0.8770
811 JYB 0.8768
812 2AC 0.8768
813 2FQ 0.8768
814 IPB 0.8768
815 5UC 0.8766
816 LRH 0.8765
817 BR9 0.8765
818 5AN 0.8765
819 MT8 0.8763
820 XBZ 0.8763
821 2TQ 0.8762
822 BEN 0.8762
823 JZ2 0.8761
824 PQK 0.8759
825 XQK 0.8758
826 4XR 0.8758
827 505 0.8757
828 PYD 0.8756
829 ICP 0.8756
830 QSB 0.8756
831 SE2 0.8756
832 9TW 0.8755
833 1LN 0.8754
834 4NC 0.8752
835 6XI 0.8752
836 H6B 0.8751
837 4JO 0.8751
838 YCP 0.8751
839 1MC 0.8749
840 34A 0.8749
841 JBE 0.8749
842 5VM 0.8747
843 TH0 0.8744
844 0GZ 0.8744
845 Q71 0.8744
846 57O 0.8744
847 IUR 0.8743
848 URQ 0.8743
849 4XS 0.8741
850 NCA 0.8741
851 ET2 0.8740
852 KDV 0.8739
853 0FN 0.8739
854 NNO 0.8739
855 2A9 0.8739
856 ABV 0.8737
857 HX3 0.8736
858 XX2 0.8736
859 PD2 0.8735
860 4AN 0.8735
861 J5I 0.8735
862 3NY 0.8735
863 IDH 0.8734
864 7FF 0.8733
865 B5D 0.8733
866 OTD 0.8731
867 HIO 0.8731
868 P92 0.8729
869 XCZ 0.8728
870 SKM 0.8727
871 CHB 0.8726
872 IHB 0.8726
873 DHB 0.8726
874 EV0 0.8725
875 ES2 0.8725
876 ERH 0.8725
877 QSH 0.8723
878 AS3 0.8723
879 9LI 0.8720
880 PSV 0.8720
881 XYD 0.8718
882 3TJ 0.8717
883 PBR 0.8717
884 2MI 0.8717
885 4JQ 0.8716
886 3PF 0.8714
887 ABI 0.8712
888 2ZM 0.8712
889 M2H 0.8712
890 7CT 0.8711
891 INO 0.8711
892 93K 0.8710
893 M5N 0.8709
894 RMN 0.8708
895 MQN 0.8708
896 1F1 0.8707
897 F1A 0.8706
898 FLC 0.8706
899 D48 0.8704
900 5MH 0.8704
901 6NT 0.8704
902 R9S 0.8704
903 NBZ 0.8703
904 4YO 0.8702
905 SF9 0.8700
906 LDR 0.8700
907 0HN 0.8699
908 2BG 0.8697
909 R9Y 0.8697
910 HPT 0.8696
911 K32 0.8696
912 0HO 0.8696
913 FPY 0.8696
914 AH8 0.8696
915 AUD 0.8696
916 6HQ 0.8696
917 2HO 0.8695
918 BPU 0.8692
919 2AL 0.8692
920 8W9 0.8691
921 FGZ 0.8691
922 CIT 0.8689
923 CWJ 0.8687
924 K22 0.8687
925 0TU 0.8677
926 DQA 0.8676
927 5OF 0.8676
928 BAM 0.8675
929 FA3 0.8674
930 3HM 0.8674
931 5JC 0.8673
932 FHB 0.8672
933 NIO 0.8672
934 4A3 0.8670
935 EKZ 0.8670
936 6PC 0.8669
937 PZA 0.8668
938 JND 0.8666
939 3ZQ 0.8666
940 DNA 0.8664
941 RXR 0.8662
942 9FL 0.8662
943 TLD 0.8658
944 173 0.8658
945 JA8 0.8654
946 3A9 0.8650
947 JLZ 0.8647
948 15N 0.8646
949 BEW 0.8644
950 2HU 0.8644
951 8OZ 0.8643
952 CAQ 0.8640
953 TWO 0.8638
954 VC2 0.8638
955 51R 0.8637
956 HA5 0.8636
957 20J 0.8635
958 40O 0.8634
959 URA 0.8634
960 TGX 0.8632
961 MZG 0.8630
962 284 0.8628
963 OHP 0.8628
964 E7R 0.8625
965 5NI 0.8624
966 OXE 0.8623
967 6R8 0.8622
968 FBB 0.8620
969 K2T 0.8620
970 TMZ 0.8620
971 7MX 0.8616
972 Y8I 0.8612
973 IT2 0.8610
974 TIU 0.8604
975 6NI 0.8603
976 7I2 0.8603
977 B2J 0.8599
978 2CH 0.8599
979 2PG 0.8598
980 JR2 0.8592
981 HIS 0.8589
982 NIZ 0.8588
983 CRS 0.8585
984 JB8 0.8581
985 9TY 0.8577
986 C2A 0.8569
987 1AN 0.8567
988 JAW 0.8567
989 XIY 0.8565
990 92Z 0.8563
991 E3D 0.8558
992 LAO 0.8557
993 REL 0.8554
994 FP2 0.8552
995 SRT 0.8546
996 MIC 0.8546
997 RHU 0.8544
998 3CH 0.8544
999 HHT 0.8527
1000 B3R 0.8525
1001 0F9 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FDZ; Ligand: 5X0; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 5fdz.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6V1H BMF 38.6555
2 5F1H 5U6 41.1765
3 5I7Y 69G 41.5842
Pocket No.: 2; Query (leader) PDB : 5FDZ; Ligand: 5X0; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 5fdz.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6V1H BMF 38.6555
2 5F1H 5U6 41.1765
3 5I7Y 69G 41.5842
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