Receptor
PDB id Resolution Class Description Source Keywords
5ML0 1.64 Å EC: 2.3.1.48 BROMODOMAIN OF MOUSE PCAF WITH (R)-4-CHLORO-2-METHYL-5-((1- METHYLPIPERIDIN-3-YL)AMINO)PYRIDAZIN-3(2H)-ONE MUS MUSCULUS INHIBITOR HISTONE EPIGENETIC READER BROMODOMAIN PCAF ANTRANSCRIPTION
Ref.: DISCOVERY OF A POTENT, CELL PENETRANT, AND SELECTIV P300/CBP-ASSOCIATED FACTOR (PCAF)/GENERAL CONTROL NONDEREPRESSIBLE 5 (GCN5) BROMODOMAIN CHEMICAL PROB J. MED. CHEM. V. 60 695 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:902;
A:903;
 Invalid;
Invalid;
 none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
P2L A:901;
 Valid;
 none;
 submit data
256.732 C11 H17 Cl N4 O CN1CC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ML0 1.64 Å EC: 2.3.1.48 BROMODOMAIN OF MOUSE PCAF WITH (R)-4-CHLORO-2-METHYL-5-((1- METHYLPIPERIDIN-3-YL)AMINO)PYRIDAZIN-3(2H)-ONE MUS MUSCULUS INHIBITOR HISTONE EPIGENETIC READER BROMODOMAIN PCAF ANTRANSCRIPTION
Ref.: DISCOVERY OF A POTENT, CELL PENETRANT, AND SELECTIV P300/CBP-ASSOCIATED FACTOR (PCAF)/GENERAL CONTROL NONDEREPRESSIBLE 5 (GCN5) BROMODOMAIN CHEMICAL PROB J. MED. CHEM. V. 60 695 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 64 families.
1 5ML0 - P2L C11 H17 Cl N4 O CN1CCC[C@H....
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: P2L; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 P2L 1 1
2 82I 0.438596 0.716667
Similar Ligands (3D)
Ligand no: 1; Ligand: P2L; Similar ligands found: 500
No: Ligand Similarity coefficient
1 XYP XDN 0.9526
2 XDN XYP 0.9526
3 XYS AZI XYS 0.9504
4 XYP XYP 0.9441
5 XIL 0.9437
6 XDL XYP 0.9437
7 2QU 0.9418
8 7L4 0.9337
9 XYS XYS 0.9326
10 0X2 0.9319
11 6BK 0.9307
12 MJ5 0.9299
13 XYP XIF 0.9296
14 WCU 0.9286
15 CBE 0.9272
16 FPL 0.9264
17 848 0.9262
18 B5A 0.9254
19 3IP 0.9251
20 XIF XYP 0.9246
21 TCC 0.9241
22 SOJ 0.9226
23 2P3 0.9207
24 PLR 0.9204
25 DDC 0.9203
26 C0H 0.9193
27 XYS XYP 0.9192
28 CH8 0.9190
29 3JC 0.9182
30 PLP 0.9177
31 EXG 0.9174
32 28A 0.9173
33 TCL 0.9162
34 KF5 0.9154
35 HH6 0.9148
36 AVX 0.9147
37 L5D 0.9147
38 EAT 0.9144
39 QME 0.9138
40 EQW 0.9137
41 IQQ 0.9135
42 THM 0.9132
43 AX8 0.9130
44 57D 0.9129
45 6DQ 0.9127
46 KW7 0.9127
47 4EU 0.9122
48 A4V 0.9117
49 MDR 0.9117
50 50Q 0.9116
51 3D1 0.9110
52 FCW 0.9110
53 PMP 0.9110
54 BBY 0.9109
55 5F1 0.9108
56 LJ4 0.9107
57 RNK 0.9107
58 DBS 0.9100
59 4Z1 0.9100
60 C4F 0.9099
61 833 0.9099
62 11X 0.9099
63 ZEA 0.9098
64 7VY 0.9096
65 HX8 0.9096
66 5AD 0.9093
67 CC5 0.9091
68 4FP 0.9086
69 SLY 0.9085
70 MW5 0.9082
71 7FZ 0.9078
72 AJ4 0.9077
73 DCN 0.9074
74 LU2 0.9072
75 12R 0.9070
76 PW1 0.9070
77 H35 0.9069
78 7ZO 0.9067
79 B4L 0.9065
80 8OB 0.9057
81 4Z9 0.9055
82 GNW 0.9051
83 7EH 0.9050
84 FY8 0.9046
85 ADN 0.9045
86 68B 0.9040
87 7QY 0.9039
88 51Y 0.9036
89 AKD 0.9035
90 BXZ 0.9031
91 XYP XYS 0.9026
92 0OO 0.9022
93 AOY 0.9016
94 GZV 0.9016
95 MJW 0.9014
96 PXP 0.9011
97 NOS 0.9010
98 5FD 0.9010
99 0SY 0.9009
100 EMU 0.9009
101 WA2 0.9009
102 1DA 0.9006
103 WVV 0.9004
104 H4B 0.9003
105 A 0.9003
106 HPR 0.9003
107 PRH 0.9003
108 4GU 0.9002
109 C4E 0.9002
110 A6H 0.9000
111 E9S 0.8999
112 AGI 0.8997
113 5N5 0.8996
114 7ZL 0.8994
115 E9P 0.8994
116 TRP 0.8994
117 BIE 0.8993
118 OUA 0.8993
119 AD3 0.8992
120 D8Y 0.8990
121 X48 0.8989
122 3WO 0.8989
123 3WN 0.8989
124 3D8 0.8986
125 YF3 0.8985
126 4CN 0.8985
127 LOX XYP 0.8983
128 5I5 0.8981
129 N2Y 0.8981
130 2L1 0.8979
131 KYN 0.8978
132 CTE 0.8978
133 1YO 0.8975
134 6MD 0.8975
135 TPM 0.8972
136 TBN 0.8971
137 6H2 0.8970
138 ISX 0.8970
139 HHV 0.8970
140 AX4 0.8968
141 AUV 0.8967
142 15Q 0.8967
143 FMB 0.8966
144 3QO 0.8965
145 6P3 0.8963
146 GJG 0.8962
147 27M 0.8962
148 AJD 0.8960
149 8OE 0.8959
150 Q0K 0.8957
151 5S9 0.8957
152 OJD 0.8953
153 ERZ 0.8952
154 TI7 0.8949
155 5VU 0.8948
156 PQS 0.8945
157 0OL 0.8945
158 A4D 0.8944
159 0OK 0.8944
160 2M7 0.8939
161 69K 0.8939
162 U13 0.8938
163 6J5 0.8938
164 1Q4 0.8937
165 47V 0.8937
166 IMH 0.8936
167 9E3 0.8935
168 XI7 0.8935
169 3DE 0.8930
170 5E4 0.8925
171 ZIP 0.8922
172 S0F 0.8922
173 WDW 0.8920
174 9FH 0.8919
175 DTR 0.8918
176 ZEZ 0.8918
177 H2B 0.8915
178 3WK 0.8915
179 HA6 0.8913
180 6C5 0.8913
181 LI4 0.8911
182 DE7 0.8910
183 6WR 0.8910
184 RE4 0.8908
185 3AK 0.8906
186 ZYV 0.8905
187 DS8 0.8904
188 ARJ 0.8904
189 AEY 0.8902
190 FM2 0.8902
191 GNG 0.8901
192 DFL 0.8898
193 FNA 0.8898
194 3LJ 0.8898
195 QEI 0.8897
196 1KN 0.8897
197 ZMG 0.8896
198 Q2S 0.8896
199 PQM 0.8895
200 22L 0.8895
201 1ZC 0.8894
202 AHR AHR 0.8894
203 5JT 0.8890
204 0OY 0.8888
205 0OP 0.8888
206 6QT 0.8888
207 BZM 0.8888
208 47X 0.8886
209 KWB 0.8885
210 FYR 0.8885
211 GJB 0.8884
212 YUG 0.8883
213 G14 0.8882
214 H75 0.8882
215 X29 0.8881
216 96Z 0.8879
217 NOC 0.8877
218 92O 0.8877
219 3WL 0.8875
220 3AD 0.8871
221 4AB 0.8870
222 NK5 0.8870
223 MTP 0.8870
224 JA3 0.8868
225 LJ1 0.8867
226 EAJ 0.8867
227 2J5 0.8865
228 5TO 0.8865
229 2L2 0.8863
230 4OG 0.8862
231 C2M 0.8861
232 3B4 0.8861
233 K80 0.8860
234 TOH 0.8859
235 KUP 0.8857
236 CMU 0.8856
237 FHI 0.8855
238 TVC 0.8854
239 5R9 0.8854
240 NAR 0.8851
241 CJZ 0.8851
242 PCQ 0.8850
243 0QV 0.8850
244 FB4 0.8850
245 TH1 0.8849
246 MUK 0.8849
247 JF5 0.8845
248 AGV 0.8845
249 G6P 0.8844
250 NE1 0.8843
251 HXY 0.8842
252 EDG AHR 0.8842
253 JMQ 0.8840
254 DIH 0.8839
255 V15 0.8839
256 CUH 0.8839
257 ID8 0.8838
258 LL2 0.8837
259 2JX 0.8837
260 A18 0.8837
261 0XR 0.8837
262 CUQ 0.8831
263 5WK 0.8830
264 TYP 0.8830
265 2FA 0.8830
266 YE6 0.8830
267 FCD 0.8828
268 NAL 0.8828
269 EYY 0.8826
270 D1Y 0.8826
271 MQS 0.8826
272 16Z 0.8824
273 5B2 0.8823
274 DBE 0.8823
275 FM1 0.8823
276 3WJ 0.8822
277 KP2 0.8822
278 6C8 0.8821
279 5P3 0.8820
280 0DF 0.8820
281 FER 0.8820
282 RVE 0.8819
283 OA1 0.8817
284 QUE 0.8816
285 CMG 0.8815
286 MMS 0.8815
287 4AF 0.8815
288 FTU 0.8814
289 AX5 0.8813
290 IMK 0.8811
291 2QV 0.8810
292 GMP 0.8810
293 JCQ 0.8808
294 4UO 0.8808
295 Q4G 0.8808
296 PUE 0.8807
297 Y3J 0.8807
298 EKH 0.8805
299 XYP AHR 0.8805
300 4L2 0.8805
301 BG6 0.8803
302 RCM 0.8802
303 S0D 0.8802
304 B2L 0.8799
305 PZP 0.8799
306 ZIQ 0.8798
307 DYZ 0.8796
308 DFV 0.8796
309 FHV 0.8796
310 3VW 0.8796
311 8KW 0.8795
312 1FL 0.8795
313 43F 0.8795
314 NIY 0.8793
315 EXL 0.8792
316 KCH 0.8792
317 URI 0.8790
318 AYS 0.8789
319 7VF 0.8788
320 5ID 0.8786
321 C6Z 0.8786
322 54F 0.8784
323 C82 0.8784
324 PUR 0.8781
325 TLF 0.8780
326 6C9 0.8780
327 3IL 0.8778
328 G30 0.8778
329 AVA 0.8776
330 TGW 0.8773
331 ELH 0.8772
332 5AE 0.8771
333 IEE 0.8771
334 RK4 0.8770
335 RPP 0.8770
336 S46 0.8770
337 NXB 0.8769
338 9BF 0.8766
339 S7D 0.8766
340 AC2 0.8764
341 A7Q 0.8763
342 LVY 0.8762
343 AFX 0.8759
344 5CD 0.8759
345 4K2 0.8758
346 I2E 0.8757
347 ITW 0.8757
348 GLP 0.8754
349 EF2 0.8754
350 2LT 0.8754
351 X04 0.8754
352 BIO 0.8754
353 YX1 0.8751
354 2KU 0.8751
355 4MP 0.8749
356 6EL 0.8748
357 BPY 0.8748
358 6J3 0.8747
359 5C1 0.8746
360 92G 0.8746
361 PV4 0.8744
362 78U 0.8744
363 NE2 0.8744
364 Q11 0.8743
365 FUZ 0.8742
366 HBI 0.8742
367 IW1 0.8740
368 DHC 0.8739
369 LJ3 0.8739
370 FT6 0.8738
371 S7V 0.8735
372 L12 0.8735
373 5NB 0.8735
374 5P7 0.8735
375 42R 0.8732
376 U4J 0.8730
377 22F 0.8728
378 CDY 0.8727
379 6DE 0.8725
380 N1E 0.8724
381 M01 0.8722
382 BNY 0.8721
383 MP5 0.8721
384 7DE 0.8721
385 P93 0.8720
386 CQW 0.8720
387 2GD 0.8720
388 IOP 0.8719
389 Z15 0.8715
390 STZ 0.8709
391 DCZ 0.8709
392 536 0.8706
393 TB8 0.8706
394 4NR 0.8705
395 N9J 0.8705
396 SB9 0.8704
397 M02 0.8703
398 Q92 0.8702
399 L21 0.8702
400 W1G 0.8700
401 DH2 0.8699
402 C53 0.8698
403 L3L 0.8696
404 VBC 0.8695
405 Q5M 0.8695
406 26C 0.8694
407 R7T 0.8694
408 3RP 0.8692
409 C0W 0.8690
410 0ON 0.8690
411 1QV 0.8685
412 BHS 0.8684
413 CWE 0.8684
414 ZSP 0.8684
415 EV2 0.8679
416 TJM 0.8678
417 KMP 0.8678
418 EZB 0.8677
419 JE7 0.8677
420 BGC OXZ 0.8676
421 BP7 0.8675
422 3L1 0.8675
423 S1D 0.8673
424 JGY 0.8673
425 J4K 0.8669
426 IQW 0.8669
427 3CA 0.8669
428 XYP XIM 0.8669
429 5AV 0.8668
430 HLP 0.8665
431 GEN 0.8664
432 4R1 0.8663
433 B41 0.8663
434 RSV 0.8658
435 28B 0.8658
436 VJJ 0.8657
437 TVZ 0.8656
438 I0D 0.8653
439 6NZ 0.8652
440 5DE 0.8652
441 AMR 0.8650
442 Y70 0.8650
443 DSQ 0.8650
444 BGK 0.8645
445 H48 0.8644
446 EYJ 0.8644
447 5WN 0.8643
448 AUY 0.8641
449 9MR 0.8641
450 IXG 0.8640
451 MTA 0.8640
452 1SF 0.8637
453 HVE 0.8633
454 CX5 0.8632
455 QC1 0.8631
456 KLS 0.8629
457 A6P 0.8626
458 7R4 0.8621
459 JSX 0.8618
460 AWE 0.8618
461 MMA XYP 0.8616
462 6C4 0.8615
463 D64 0.8613
464 7AP 0.8613
465 0J4 0.8611
466 AUE 0.8610
467 NPL 0.8610
468 BG8 0.8609
469 AUG 0.8609
470 LZ5 0.8608
471 5R8 0.8603
472 QTD 0.8602
473 CWP 0.8600
474 MZR 0.8600
475 22T 0.8599
476 9FN 0.8599
477 5O6 0.8598
478 MIL 0.8598
479 MPU 0.8596
480 DNB 0.8595
481 7G0 0.8594
482 ON1 0.8592
483 KPV 0.8590
484 1HP 0.8590
485 HO4 0.8580
486 14Z 0.8572
487 AJ6 0.8570
488 145 0.8569
489 GXD 0.8567
490 F9W 0.8566
491 NYJ 0.8564
492 6HP 0.8562
493 9X3 0.8562
494 F4U 0.8556
495 IM5 0.8555
496 8UY 0.8548
497 JNW 0.8541
498 2JM 0.8535
499 PPN 0.8532
500 7PJ 0.8526
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ML0; Ligand: P2L; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 5ml0.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5F1H 5U6 39.0909
2 4UYE 9F9 45.4545
3 4UYE 9F9 45.4545
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