Receptor
PDB id Resolution Class Description Source Keywords
5fe8 2.1 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF HUMAN PCAF BROMODOMAIN IN COMPLEX WITH SL1126 (COMPOUND 12) 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
EDO A:905;
B:901;
B:904;
A:903;
A:902;
B:903;
A:904;
B:902;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
5WT A:901;
 Valid;
 none;
 submit data
230.262 C13 H14 N2 O2 CC1=C...
DMS B:905;
 Invalid;
 none;
 submit data
78.133 C2 H6 O S CS(=O...
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: 5WT; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 5WT 1 1
2 5WS 0.589286 0.689655
Similar Ligands (3D)
Ligand no: 1; Ligand: 5WT; Similar ligands found: 565
No: Ligand Similarity coefficient
1 ZHA 0.9572
2 KLV 0.9450
3 MUX 0.9435
4 2WU 0.9422
5 YEX 0.9420
6 S98 0.9388
7 2JK 0.9363
8 HA6 0.9352
9 S60 0.9351
10 1QV 0.9348
11 BGU 0.9345
12 B21 0.9339
13 V1T 0.9337
14 F40 0.9336
15 DK1 0.9332
16 JP2 0.9330
17 YE7 0.9312
18 ZRL 0.9307
19 LUM 0.9305
20 5P3 0.9286
21 DXK 0.9283
22 ITE 0.9282
23 6TJ 0.9271
24 RGK 0.9268
25 BDI 0.9262
26 HRD 0.9260
27 64E 0.9249
28 NRA 0.9240
29 3GX 0.9239
30 5NN 0.9236
31 Q0K 0.9225
32 EYM 0.9223
33 B2E 0.9222
34 774 0.9202
35 X0T 0.9201
36 P83 0.9201
37 64F 0.9185
38 ZIP 0.9182
39 NKI 0.9181
40 YE6 0.9174
41 1V3 0.9171
42 4L2 0.9163
43 X8E 0.9159
44 JF8 0.9157
45 AMR 0.9156
46 FCD 0.9155
47 WLH 0.9152
48 20D 0.9152
49 55D 0.9151
50 7L4 0.9151
51 5TY 0.9149
52 JRO 0.9144
53 JTA 0.9142
54 3D8 0.9140
55 H35 0.9138
56 QIV 0.9138
57 M3W 0.9136
58 UFO 0.9133
59 H4B 0.9131
60 GNV 0.9129
61 MD6 0.9127
62 0DF 0.9127
63 TQ1 0.9126
64 DFL 0.9126
65 DNQ 0.9123
66 GZV 0.9119
67 P4L 0.9116
68 PIQ 0.9116
69 H2W 0.9116
70 1V1 0.9113
71 W8L 0.9113
72 L3L 0.9113
73 9TF 0.9112
74 CDJ 0.9110
75 K7H 0.9104
76 5B2 0.9099
77 HRM 0.9099
78 SXX 0.9099
79 FF2 0.9098
80 ZME 0.9097
81 BIO 0.9096
82 2GQ 0.9096
83 UAY 0.9094
84 ZRK 0.9093
85 78P 0.9090
86 AGI 0.9090
87 ZSP 0.9089
88 0SY 0.9089
89 TCR 0.9088
90 PRL 0.9087
91 372 0.9087
92 ALR 0.9086
93 F5C 0.9084
94 FER 0.9083
95 8G6 0.9082
96 3WJ 0.9081
97 A73 0.9080
98 0J4 0.9079
99 MBP 0.9078
100 UN9 0.9076
101 ZYQ 0.9075
102 8W9 0.9075
103 26C 0.9075
104 HBO 0.9074
105 9F8 0.9070
106 AVX 0.9067
107 XM5 0.9058
108 9JT 0.9057
109 0FK 0.9055
110 3AK 0.9053
111 6HP 0.9053
112 EVO 0.9051
113 7I2 0.9050
114 B23 0.9049
115 5XL 0.9048
116 344 0.9046
117 7AP 0.9045
118 E9L 0.9045
119 DX7 0.9044
120 TRP 0.9041
121 25F 0.9041
122 VT3 0.9039
123 G6P 0.9038
124 IDZ 0.9036
125 Q5M 0.9036
126 MXD 0.9034
127 SZ5 0.9034
128 7ZL 0.9031
129 4AB 0.9028
130 1V4 0.9027
131 R4E 0.9026
132 2K8 0.9022
133 1FE 0.9021
134 5V7 0.9017
135 ONZ 0.9016
136 3WL 0.9015
137 IQ5 0.9014
138 N2M 0.9012
139 6ZW 0.9007
140 B61 0.9007
141 34L 0.9005
142 RVE 0.9005
143 2QV 0.9004
144 68A 0.9003
145 9CE 0.9003
146 HBI 0.9002
147 H2B 0.9002
148 GI1 0.9001
149 NIY 0.9000
150 HFT 0.8998
151 52F 0.8997
152 ANC 0.8995
153 LFN 0.8994
154 8HC 0.8993
155 LOT 0.8992
156 LL1 0.8992
157 ZEA 0.8991
158 2P3 0.8989
159 1DR 0.8987
160 OSB 0.8984
161 6QF 0.8983
162 C9E 0.8980
163 0XT 0.8980
164 30G 0.8979
165 BPU 0.8978
166 IOP 0.8973
167 57D 0.8972
168 537 0.8971
169 EV2 0.8971
170 3F4 0.8970
171 IDD 0.8970
172 DRG 0.8968
173 GNM 0.8967
174 HH6 0.8966
175 NYJ 0.8965
176 R9Y 0.8964
177 M78 0.8962
178 4FF 0.8962
179 N91 0.8955
180 3Y7 0.8954
181 EY2 0.8954
182 K68 0.8952
183 CKA 0.8950
184 6DQ 0.8947
185 5FL 0.8945
186 5E1 0.8944
187 4B0 0.8944
188 7EH 0.8943
189 GI4 0.8942
190 RHN 0.8942
191 4F8 0.8941
192 22T 0.8941
193 CHQ 0.8940
194 4GP 0.8940
195 NIF 0.8940
196 NU3 0.8940
197 0UL 0.8939
198 SG2 0.8938
199 AP6 0.8935
200 8NX 0.8932
201 GO8 0.8932
202 4CN 0.8930
203 PQT 0.8929
204 6FB 0.8923
205 F2W 0.8923
206 A6W 0.8922
207 5F8 0.8919
208 N8Y 0.8919
209 1QP 0.8918
210 3VX 0.8915
211 J38 0.8914
212 0OK 0.8914
213 28N 0.8913
214 5F5 0.8913
215 II4 0.8912
216 54X 0.8911
217 GNY 0.8909
218 08C 0.8909
219 5OF 0.8907
220 O82 0.8907
221 BG6 0.8905
222 MFZ 0.8903
223 Y3L 0.8903
224 NEU 0.8903
225 8M5 0.8901
226 4R1 0.8898
227 NPL 0.8897
228 TXQ 0.8897
229 A63 0.8896
230 27M 0.8895
231 CUH 0.8894
232 XFE 0.8894
233 GNJ 0.8893
234 ZEZ 0.8893
235 OLU 0.8893
236 DX2 0.8891
237 2QU 0.8889
238 4KL 0.8889
239 A5H 0.8888
240 PLP 0.8886
241 GJK 0.8885
242 HHS 0.8884
243 DT7 0.8881
244 M3F 0.8880
245 5WN 0.8879
246 XCG 0.8879
247 B56 0.8878
248 3J8 0.8878
249 NWD 0.8878
250 ET0 0.8878
251 BIK 0.8877
252 KYA 0.8876
253 47V 0.8876
254 4ZF 0.8875
255 833 0.8875
256 MPP 0.8875
257 AH9 0.8874
258 19E 0.8872
259 18E 0.8872
260 9OF 0.8872
261 8Y7 0.8872
262 CR1 0.8871
263 LP8 0.8871
264 78Y 0.8869
265 JWS 0.8868
266 1X8 0.8867
267 1HP 0.8867
268 ZYR 0.8866
269 NW1 0.8865
270 0J5 0.8864
271 3JC 0.8863
272 3D3 0.8862
273 JCZ 0.8862
274 1AJ 0.8862
275 O9Z 0.8862
276 RKV 0.8862
277 CMG 0.8861
278 UQ1 0.8860
279 1FL 0.8860
280 5WM 0.8859
281 MUR 0.8858
282 1EL 0.8856
283 Q9T 0.8855
284 5E5 0.8855
285 O9T 0.8855
286 WS7 0.8853
287 96R 0.8853
288 B0K 0.8853
289 KTW 0.8852
290 AJG 0.8851
291 7MX 0.8848
292 FC2 0.8847
293 QR2 0.8847
294 FSU 0.8846
295 28S 0.8846
296 SYE 0.8844
297 0FR 0.8844
298 VM1 0.8842
299 5WW 0.8842
300 P9I 0.8841
301 K25 0.8840
302 BA5 0.8839
303 C4E 0.8837
304 UN4 0.8837
305 E1K 0.8836
306 LWS 0.8835
307 JR2 0.8833
308 6PB 0.8833
309 CCV 0.8833
310 WUB 0.8831
311 5ER 0.8829
312 BBY 0.8827
313 BJ4 0.8827
314 5TZ 0.8824
315 G1P 0.8824
316 AC2 0.8822
317 KWB 0.8822
318 363 0.8822
319 B52 0.8820
320 XEZ 0.8819
321 LR2 0.8819
322 NAG 0.8818
323 MFR 0.8816
324 OA4 0.8816
325 N7I 0.8816
326 E6Q 0.8814
327 TMG 0.8814
328 GEN 0.8811
329 BPY 0.8811
330 MUK 0.8811
331 JBZ 0.8810
332 1UZ 0.8810
333 C0W 0.8808
334 C9M 0.8808
335 CG 0.8806
336 NAR 0.8806
337 CUT 0.8805
338 CTE 0.8805
339 8HH 0.8805
340 657 0.8804
341 4AU 0.8804
342 CNI 0.8803
343 GOE 0.8801
344 4I8 0.8800
345 X0U 0.8800
346 MR6 0.8798
347 AQN 0.8797
348 2UD 0.8797
349 62D 0.8797
350 PMP 0.8794
351 GO2 0.8790
352 272 0.8789
353 2FX 0.8789
354 D9Z 0.8786
355 AH3 0.8784
356 DDC 0.8783
357 CZ0 0.8783
358 GLP 0.8782
359 PH2 0.8782
360 IK1 0.8781
361 DHC 0.8781
362 0H5 0.8780
363 LI7 0.8777
364 5SJ 0.8777
365 3CA 0.8774
366 EV3 0.8773
367 KMP 0.8773
368 39Z 0.8772
369 QMS 0.8771
370 EMO 0.8771
371 M5H 0.8769
372 SU9 0.8768
373 8SK 0.8768
374 X0W 0.8768
375 SNY 0.8766
376 O9Q 0.8765
377 FYR 0.8765
378 7ME 0.8764
379 IQZ 0.8762
380 RSV 0.8761
381 GVI 0.8761
382 NTF 0.8761
383 4GU 0.8761
384 4Z9 0.8760
385 5DN 0.8760
386 M6D 0.8759
387 5VU 0.8756
388 5E2 0.8754
389 5GT 0.8753
390 BQ2 0.8752
391 S0D 0.8750
392 HHR 0.8750
393 1A7 0.8746
394 BZE 0.8746
395 6Q3 0.8745
396 4FE 0.8745
397 X11 0.8743
398 FLV 0.8743
399 8UY 0.8741
400 2JX 0.8741
401 CUE 0.8739
402 2FQ 0.8738
403 K37 0.8735
404 JTF 0.8734
405 YTX 0.8733
406 UXH 0.8733
407 SRO 0.8732
408 2D2 0.8732
409 KDV 0.8732
410 91F 0.8731
411 WA2 0.8730
412 CC6 0.8730
413 ARP 0.8730
414 3SU 0.8730
415 9KZ 0.8729
416 FHV 0.8729
417 3VQ 0.8728
418 9BF 0.8727
419 9ZE 0.8725
420 CIY 0.8724
421 BHM 0.8721
422 27F 0.8721
423 M4E 0.8720
424 X04 0.8718
425 9UL 0.8717
426 BL7 0.8716
427 F18 0.8716
428 ESI 0.8712
429 K3Q 0.8712
430 E1T 0.8709
431 25O 0.8709
432 AY4 0.8709
433 MTS 0.8707
434 GHM 0.8705
435 LIG 0.8704
436 428 0.8703
437 YZ9 0.8703
438 KMY 0.8702
439 AJD 0.8701
440 92P 0.8700
441 FNT 0.8700
442 CK2 0.8700
443 6BK 0.8698
444 SGW 0.8698
445 U13 0.8697
446 GJP 0.8696
447 226 0.8696
448 PTS 0.8695
449 ELH 0.8695
450 2J1 0.8693
451 4BL 0.8690
452 97K 0.8689
453 LU2 0.8689
454 22L 0.8689
455 0W1 0.8689
456 OTA 0.8688
457 GI3 0.8688
458 3R4 0.8687
459 A7H 0.8687
460 4NO 0.8687
461 O83 0.8685
462 FQX 0.8685
463 THA 0.8684
464 TQU 0.8683
465 QUE 0.8681
466 JF1 0.8680
467 M6P 0.8680
468 X48 0.8680
469 IL5 0.8679
470 2AN 0.8678
471 JG8 0.8678
472 FY8 0.8678
473 CPW 0.8677
474 9AP 0.8677
475 SYR 0.8676
476 ASE 0.8676
477 27K 0.8675
478 8NB 0.8671
479 6JO 0.8669
480 DBS 0.8668
481 6QT 0.8667
482 GA2 0.8666
483 NPZ 0.8666
484 K75 0.8663
485 4HG 0.8662
486 6JM 0.8662
487 AYS 0.8661
488 8XL 0.8660
489 G14 0.8658
490 96Z 0.8656
491 KYN 0.8655
492 CFK 0.8654
493 KU1 0.8653
494 HMZ 0.8652
495 JY4 0.8651
496 M6Z 0.8651
497 QZ8 0.8649
498 DNF 0.8648
499 BGP 0.8647
500 ANF 0.8647
501 KP2 0.8645
502 1XS 0.8645
503 A5Q 0.8642
504 WG8 0.8639
505 4BY 0.8639
506 BK9 0.8637
507 BZQ 0.8637
508 CWE 0.8634
509 KLK 0.8634
510 7FU 0.8632
511 0JD 0.8631
512 ZZA 0.8631
513 878 0.8631
514 28A 0.8631
515 KF5 0.8630
516 15N 0.8630
517 4NR 0.8628
518 DNA 0.8628
519 3N0 0.8627
520 EWG 0.8626
521 92O 0.8626
522 2LX 0.8626
523 E7S 0.8626
524 LDR 0.8625
525 AA 0.8625
526 BHS 0.8623
527 VXX 0.8623
528 3UG 0.8622
529 J6W 0.8619
530 4MX 0.8616
531 IQW 0.8616
532 3R6 0.8615
533 TIY 0.8615
534 GNR 0.8614
535 3ZB 0.8613
536 1BW 0.8609
537 SLS 0.8601
538 IOS 0.8600
539 AV6 0.8599
540 AJ1 0.8598
541 I7C 0.8596
542 BP7 0.8596
543 5WK 0.8591
544 209 0.8590
545 ODK 0.8588
546 DT9 0.8583
547 TR4 0.8583
548 OUA 0.8580
549 LEL 0.8580
550 JND 0.8579
551 NFZ 0.8576
552 3QV 0.8572
553 AN3 0.8562
554 PEY 0.8560
555 PE2 0.8554
556 4V2 0.8552
557 6KT 0.8550
558 A1Y 0.8550
559 GXD 0.8549
560 N0Z 0.8544
561 LRW 0.8543
562 2T4 0.8541
563 DX8 0.8527
564 57U 0.8518
565 PVK 0.8513
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
APoc FAQ
Feedback