Receptor
PDB id Resolution Class Description Source Keywords
5FE6 1.77 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF HUMAN PCAF BROMODOMAIN IN COMPLEX WITH ZB1916 (FRAGMENT 10) 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;
A:906;
A:903;
A:902;
A:908;
A:904;
A:907;
B:902;
A:901;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
5WZ A:909;
Valid;
none;
Kd = 6910 uM
168.236 C9 H16 N2 O C1CC1...
DMS B:903;
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: 5WZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 5WZ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 5WZ; Similar ligands found: 474
No: Ligand Similarity coefficient
1 ISZ 0.9549
2 BHO 0.9486
3 CFI 0.9483
4 NIZ 0.9472
5 PPT 0.9359
6 HC4 0.9350
7 TYE 0.9335
8 AHC 0.9333
9 PHE 0.9332
10 SMN 0.9328
11 8OZ 0.9327
12 1L5 0.9324
13 ENO 0.9320
14 OTR 0.9316
15 HCI 0.9315
16 173 0.9312
17 4VY 0.9304
18 CXP 0.9304
19 FBM 0.9296
20 HIS 0.9284
21 HDH 0.9279
22 TYR 0.9278
23 J9T 0.9275
24 F9P 0.9271
25 5XC 0.9260
26 9RW 0.9248
27 PPY 0.9245
28 I3A 0.9244
29 HPP 0.9238
30 2BX 0.9219
31 M3H 0.9219
32 4JQ 0.9218
33 1F1 0.9217
34 5NI 0.9216
35 TYL 0.9212
36 A29 0.9205
37 KDG 0.9204
38 KJU 0.9203
39 B40 0.9199
40 069 0.9197
41 FK8 0.9195
42 APG 0.9190
43 BNF 0.9189
44 PH3 0.9186
45 PIM 0.9184
46 N2I 0.9181
47 SHA 0.9180
48 HIC 0.9174
49 XIY 0.9173
50 6NI 0.9170
51 CLT 0.9168
52 MS9 0.9167
53 HHI 0.9167
54 TPA 0.9167
55 IWT 0.9166
56 MSR 0.9165
57 CFA 0.9160
58 7VP 0.9160
59 HSO 0.9156
60 94W 0.9154
61 3A9 0.9151
62 2BG 0.9150
63 15N 0.9146
64 ES2 0.9145
65 HX4 0.9143
66 NFM 0.9141
67 A5E 0.9133
68 J6W 0.9133
69 CS2 0.9133
70 5XB 0.9130
71 MXN 0.9128
72 4TU 0.9128
73 RMN 0.9125
74 4HP 0.9123
75 NFA 0.9122
76 S7A 0.9121
77 1P8 0.9120
78 61M 0.9119
79 B3U 0.9116
80 DHC 0.9113
81 GVG 0.9112
82 J9N 0.9111
83 GOJ 0.9109
84 PBA 0.9108
85 BZJ 0.9105
86 1A7 0.9104
87 GLU 0.9103
88 GLO 0.9102
89 HFA 0.9101
90 TIH 0.9099
91 BNL 0.9098
92 HHH 0.9096
93 DHY 0.9093
94 5GU 0.9091
95 M45 0.9090
96 OGA 0.9090
97 CWJ 0.9089
98 TT4 0.9086
99 8ZE 0.9086
100 8WO 0.9085
101 ASC 0.9084
102 P58 0.9082
103 YRL 0.9082
104 CPZ 0.9081
105 DE5 0.9078
106 RBL 0.9077
107 L99 0.9074
108 DEW 0.9073
109 AC6 0.9070
110 NCT 0.9067
111 9R5 0.9065
112 K34 0.9064
113 4P5 0.9064
114 XLS 0.9063
115 AKG 0.9058
116 PHB 0.9057
117 C82 0.9055
118 36M 0.9054
119 EN1 0.9050
120 MR1 0.9049
121 6KT 0.9048
122 PHU 0.9047
123 PRA 0.9046
124 4LW 0.9046
125 BRH 0.9044
126 JDN 0.9042
127 AEG 0.9040
128 XIZ 0.9038
129 XYL 0.9037
130 36Y 0.9035
131 PDC 0.9032
132 2UB 0.9031
133 HNL 0.9031
134 S8V 0.9028
135 PKU 0.9026
136 S0W 0.9026
137 SHI 0.9025
138 TZF 0.9024
139 0JD 0.9022
140 HNK 0.9020
141 DTY 0.9020
142 GZL 0.9020
143 ICB 0.9019
144 S2P 0.9019
145 4FA 0.9018
146 TGX 0.9018
147 4PN 0.9017
148 SNU 0.9014
149 OMD 0.9005
150 4JT 0.9005
151 RB5 0.9003
152 PFF 0.9002
153 RQD 0.9000
154 PBZ 0.9000
155 PNZ 0.8998
156 YZM 0.8998
157 FTV 0.8998
158 GWM 0.8996
159 KTJ 0.8996
160 OOG 0.8990
161 PBN 0.8988
162 SDD 0.8988
163 LNR 0.8987
164 3PF 0.8987
165 BCU 0.8987
166 ODO 0.8987
167 O45 0.8986
168 BPW 0.8985
169 NYL 0.8984
170 3PG 0.8984
171 AOT 0.8982
172 JB8 0.8982
173 7BC 0.8982
174 56D 0.8980
175 M6H 0.8978
176 DXG 0.8978
177 R2P 0.8978
178 RM1 0.8975
179 1BN 0.8975
180 FAN 0.8974
181 YPN 0.8973
182 N4B 0.8973
183 45L 0.8964
184 717 0.8962
185 RJY 0.8960
186 PAC 0.8959
187 HJH 0.8959
188 TAG 0.8955
189 ZBT 0.8954
190 SRO 0.8954
191 SOR 0.8953
192 F4E 0.8953
193 0A1 0.8950
194 HF2 0.8948
195 3C4 0.8947
196 CCU 0.8946
197 AEF 0.8944
198 FUD 0.8944
199 DGN 0.8944
200 1FD 0.8943
201 DPN 0.8942
202 3QM 0.8942
203 N9J 0.8941
204 6FZ 0.8940
205 TSR 0.8939
206 OW7 0.8939
207 7MU 0.8938
208 4NC 0.8934
209 263 0.8934
210 DZA 0.8933
211 YIE 0.8933
212 UN1 0.8927
213 LDP 0.8925
214 H42 0.8924
215 TYC 0.8924
216 RNS 0.8924
217 AL0 0.8922
218 IAC 0.8922
219 BPN 0.8922
220 HWD 0.8919
221 ALE 0.8919
222 PO6 0.8915
223 B09 0.8913
224 XUL 0.8913
225 F90 0.8912
226 DHR 0.8912
227 FBJ 0.8910
228 HPS 0.8908
229 RNO 0.8907
230 EGR 0.8906
231 S24 0.8906
232 B85 0.8905
233 PIY 0.8905
234 PHI 0.8900
235 XM0 0.8897
236 SEP 0.8895
237 PMF 0.8894
238 NAG 0.8893
239 PCS 0.8892
240 DEE 0.8892
241 SOL 0.8891
242 DHI 0.8889
243 2FY 0.8889
244 IYR 0.8888
245 H4E 0.8886
246 15E 0.8885
247 I1E 0.8885
248 LGT 0.8885
249 GRO 0.8885
250 YOF 0.8884
251 X1P 0.8881
252 Q9Z 0.8879
253 J9Q 0.8878
254 CXF 0.8877
255 SNO 0.8877
256 GLN 0.8877
257 AZM 0.8876
258 264 0.8873
259 PF1 0.8872
260 3YP 0.8871
261 EHM 0.8866
262 QUS 0.8866
263 0LH 0.8865
264 HL5 0.8862
265 ISA 0.8862
266 RBJ 0.8860
267 DAL DAL 0.8860
268 RUY 0.8859
269 4NM 0.8859
270 MAJ 0.8856
271 RNT 0.8854
272 TZM 0.8852
273 268 0.8852
274 SD4 0.8850
275 GGB 0.8848
276 M74 0.8847
277 HSX 0.8847
278 GCO 0.8846
279 REL 0.8844
280 MP5 0.8844
281 GLR 0.8837
282 DAH 0.8836
283 QY9 0.8836
284 GT4 0.8835
285 SAN 0.8835
286 LTT 0.8833
287 SBK 0.8832
288 3LR 0.8831
289 2IT 0.8831
290 3CR 0.8830
291 4A5 0.8829
292 EF0 0.8828
293 QMP 0.8828
294 PZM 0.8828
295 3BU 0.8827
296 DGL 0.8826
297 LFC 0.8825
298 0A9 0.8825
299 KTA 0.8824
300 4TB 0.8823
301 D3G 0.8822
302 AHN 0.8820
303 LLH 0.8819
304 LPK 0.8818
305 HL4 0.8818
306 BQ2 0.8816
307 KMH 0.8815
308 S2G 0.8815
309 ATX 0.8813
310 ST3 0.8810
311 PGH 0.8809
312 RP5 0.8808
313 XX2 0.8805
314 7C3 0.8804
315 86L 0.8800
316 AMQ 0.8800
317 2HG 0.8799
318 4BZ 0.8798
319 R9J 0.8798
320 8U3 0.8797
321 XYH 0.8797
322 6ZX 0.8791
323 JRB 0.8791
324 COU 0.8790
325 GLL 0.8789
326 PEL 0.8788
327 4FS 0.8787
328 EPR 0.8787
329 SYC 0.8787
330 J0Z 0.8785
331 RAT 0.8783
332 7MK 0.8783
333 MTL 0.8782
334 UA5 0.8781
335 OCH 0.8780
336 I3E 0.8779
337 5RP 0.8778
338 FIX 0.8778
339 K4V 0.8776
340 P7Y 0.8774
341 HYA 0.8772
342 K7M 0.8771
343 92G 0.8771
344 E4P 0.8771
345 SME 0.8770
346 AMH 0.8769
347 ET2 0.8768
348 OHP 0.8764
349 LYS 0.8763
350 HXY 0.8761
351 MQN 0.8760
352 FBB 0.8759
353 K2T 0.8757
354 HMS 0.8756
355 3R4 0.8756
356 42J 0.8755
357 GXY 0.8753
358 AAN 0.8752
359 Z13 0.8751
360 VGD 0.8748
361 PFL 0.8747
362 OKG 0.8746
363 GGL 0.8746
364 03V 0.8744
365 7Q1 0.8742
366 S7G 0.8741
367 EFF 0.8740
368 E7S 0.8739
369 ARG 0.8736
370 PSJ 0.8735
371 TMG 0.8735
372 6ME 0.8732
373 CLW 0.8732
374 4XF 0.8732
375 SYM 0.8731
376 1PS 0.8731
377 6HO 0.8731
378 13P 0.8730
379 KDV 0.8727
380 54Z 0.8727
381 IPO 0.8725
382 L14 0.8725
383 9RH 0.8720
384 IOP 0.8719
385 36R 0.8719
386 7MX 0.8718
387 I2E 0.8718
388 2FT 0.8717
389 8XL 0.8716
390 E1P 0.8714
391 MEQ 0.8713
392 2F6 0.8710
393 9BF 0.8707
394 URO 0.8704
395 DHS 0.8702
396 0OC 0.8701
397 0QW 0.8701
398 88L 0.8698
399 41K 0.8698
400 LUQ 0.8698
401 258 0.8697
402 0BP 0.8696
403 A7N 0.8693
404 7UC 0.8689
405 K82 0.8687
406 P81 0.8686
407 RA7 0.8685
408 9SE 0.8685
409 4JC 0.8684
410 49F 0.8683
411 PRO GLY 0.8681
412 3QO 0.8680
413 0TU 0.8679
414 5DL 0.8678
415 RUJ 0.8677
416 5FX 0.8677
417 I4B 0.8676
418 SSC 0.8674
419 0NX 0.8674
420 129 0.8673
421 GC3 0.8672
422 ALA ALA 0.8670
423 CUW 0.8669
424 NDG 0.8668
425 QH3 0.8667
426 GLY GLY 0.8663
427 3R6 0.8662
428 JF2 0.8653
429 DXP 0.8650
430 IFG 0.8648
431 1X4 0.8648
432 HG3 0.8647
433 E5X 0.8645
434 LL2 0.8642
435 BL0 0.8641
436 MES 0.8640
437 SAF 0.8639
438 3HG 0.8633
439 DVQ 0.8631
440 CXH 0.8628
441 ZZU 0.8626
442 C53 0.8626
443 7QS 0.8625
444 C1M 0.8618
445 FOC 0.8613
446 DJN 0.8613
447 EYV 0.8609
448 XEN 0.8609
449 3GZ 0.8607
450 AFS 0.8600
451 MAH 0.8596
452 HNM 0.8588
453 JFJ 0.8586
454 SG3 0.8584
455 MZT 0.8581
456 FWD 0.8580
457 CLU 0.8578
458 CWD 0.8578
459 HNT 0.8577
460 JZA 0.8576
461 NOK 0.8575
462 AEH 0.8575
463 SSB 0.8572
464 30G 0.8570
465 HY1 0.8568
466 DDU 0.8562
467 LTL 0.8558
468 64Z 0.8556
469 GVM 0.8554
470 3XR 0.8552
471 HJ7 0.8539
472 NGA 0.8533
473 MD6 0.8524
474 APS 0.8519
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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