Receptor
PDB id Resolution Class Description Source Keywords
5DYU 1.65 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BAZ2B BROMODOMAIN IN COMPLEX WITH FRAGM HOMO SAPIENS FOUR HELICAL BUNDLE TRANSCRIPTION
Ref.: HIGH-THROUGHPUT FRAGMENT DOCKING INTO THE BAZ2B BRO EFFICIENT IN SILICO SCREENING FOR X-RAY CRYSTALLOGR ACS CHEM.BIOL. V. 11 800 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MZ0 A:2001;
A:2002;
 Valid;
Valid;
 none;
none;
 submit data
98.103 C4 H6 N2 O c1c([...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XUB 1.98 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BAZ2B IN COMPL BAZ2-ICR CHEMICAL PROBE HOMO SAPIENS TRANSCRIPTION BROMODOMAIN ACETYLATED LYSINE BINDING PROTEIKIAA1476 WALP4 SGC STRUCTURAL GENOMICS CONSORTIUM
Ref.: STRUCTURE ENABLED DESIGN OF BAZ2-ICR, A CHEMICAL PR TARGETING THE BROMODOMAINS OF BAZ2A AND BAZ2B. J.MED.CHEM. V. 58 2553 2015
Members (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4XUB ic50 = 1.07 uM 43D C19 H18 N8 Cc1cn(nn1)....
2 4XUA ic50 = 26 uM 43C C21 H18 N6 Cc1cn(nn1)....
3 5MGF Kd = 54 uM 7MW C9 H11 N O3 CCC(=O)c1c....
4 5E9I - F60 C8 H7 N O c1cc(cc2c1....
5 6FGT - D9T C14 H21 N3 O2 CN1C=C(C=C....
6 4NRB ic50 = 38 uM 2LX C13 H17 N O3 CNC(=O)c1c....
7 6FH6 - D8Q C9 H13 N3 O2 CN1C=C(C=C....
8 5MGG - 7MU C7 H7 Cl N2 O CNC(=O)c1c....
9 5ORB - JR6 C16 H19 N3 O2 S Cn1c(c2c(n....
10 4NRC ic50 = 241 uM 2LY C8 H9 N O3 S CNC(=O)c1c....
11 6FH7 - EN2 C17 H18 F N3 O3 CN1C=C(C=C....
12 5E9K - 5KX C3 H3 Cl N2 c1cnc([nH]....
13 4NRA Kd = 65 uM 2LW C13 H13 Cl N2 O CC(=O)N1CC....
14 5MGE Kd = 87 uM 7MX C9 H10 Cl N O3 CCOC(=O)C1....
15 4NR9 - ALY C8 H16 N2 O3 CC(=O)NCCC....
16 5E9L - 6AI C7 H7 N3 c1cc2cn[nH....
17 5OR9 ic50 = 88 uM JR5 C18 H21 F N4 O3 S Cn1c(c2c(n....
18 5E74 Kd = 39 uM 5KH C25 H19 F3 N2 O3 Cc1ccc(cc1....
19 5E9M - BAE C6 H13 N O CC(C)(C)C(....
20 6FGU - D9Q C13 H19 N3 O2 CN1C=C(C=C....
21 5DYX - ADE C5 H5 N5 c1[nH]c2c(....
22 5DYU - MZ0 C4 H6 N2 O c1c([nH]cn....
23 5E73 Kd = 23 uM UO1 C19 H18 N2 O3 Cc1ccc(cc1....
70% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4XUB ic50 = 1.07 uM 43D C19 H18 N8 Cc1cn(nn1)....
2 4XUA ic50 = 26 uM 43C C21 H18 N6 Cc1cn(nn1)....
3 5MGF Kd = 54 uM 7MW C9 H11 N O3 CCC(=O)c1c....
4 5E9I - F60 C8 H7 N O c1cc(cc2c1....
5 6FGT - D9T C14 H21 N3 O2 CN1C=C(C=C....
6 4NRB ic50 = 38 uM 2LX C13 H17 N O3 CNC(=O)c1c....
7 6FH6 - D8Q C9 H13 N3 O2 CN1C=C(C=C....
8 5MGG - 7MU C7 H7 Cl N2 O CNC(=O)c1c....
9 5ORB - JR6 C16 H19 N3 O2 S Cn1c(c2c(n....
10 4NRC ic50 = 241 uM 2LY C8 H9 N O3 S CNC(=O)c1c....
11 6FH7 - EN2 C17 H18 F N3 O3 CN1C=C(C=C....
12 5E9K - 5KX C3 H3 Cl N2 c1cnc([nH]....
13 4NRA Kd = 65 uM 2LW C13 H13 Cl N2 O CC(=O)N1CC....
14 5MGE Kd = 87 uM 7MX C9 H10 Cl N O3 CCOC(=O)C1....
15 4NR9 - ALY C8 H16 N2 O3 CC(=O)NCCC....
16 5E9L - 6AI C7 H7 N3 c1cc2cn[nH....
17 5OR9 ic50 = 88 uM JR5 C18 H21 F N4 O3 S Cn1c(c2c(n....
18 5E74 Kd = 39 uM 5KH C25 H19 F3 N2 O3 Cc1ccc(cc1....
19 5E9M - BAE C6 H13 N O CC(C)(C)C(....
20 6FGU - D9Q C13 H19 N3 O2 CN1C=C(C=C....
21 5DYX - ADE C5 H5 N5 c1[nH]c2c(....
22 5DYU - MZ0 C4 H6 N2 O c1c([nH]cn....
23 5E73 Kd = 23 uM UO1 C19 H18 N2 O3 Cc1ccc(cc1....
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: MZ0; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MZ0 1 1
2 HHI 0.421053 0.648649
3 DYT 0.410256 0.611111
Similar Ligands (3D)
Ligand no: 1; Ligand: MZ0; Similar ligands found: 632
No: Ligand Similarity coefficient
1 2EZ 1.0000
2 BVG 1.0000
3 NVI 1.0000
4 IUR 1.0000
5 HVQ 0.9940
6 BVC 0.9922
7 PRI 0.9872
8 APY 0.9842
9 PY7 0.9830
10 2MZ 0.9824
11 JBN 0.9820
12 JZ6 0.9817
13 4MZ 0.9814
14 TZC 0.9808
15 282 0.9807
16 IPH 0.9803
17 MZY 0.9803
18 LGA 0.9801
19 SYN 0.9796
20 1MZ 0.9794
21 5MP 0.9792
22 2KT 0.9792
23 5KX 0.9789
24 BYZ 0.9788
25 HBX 0.9788
26 PYF 0.9786
27 HVK 0.9783
28 MBN 0.9782
29 4AP 0.9780
30 FOA 0.9779
31 3AP 0.9777
32 MR3 0.9776
33 HOW 0.9776
34 9PO 0.9776
35 HRZ 0.9775
36 HSM 0.9767
37 2AP 0.9767
38 PYJ 0.9764
39 3TR 0.9764
40 1DU 0.9763
41 ABN 0.9760
42 ES3 0.9754
43 2AI 0.9750
44 GXE 0.9741
45 PIH 0.9734
46 PYC 0.9730
47 WOT 0.9728
48 XIX 0.9724
49 1CB 0.9709
50 HYN 0.9708
51 6SP 0.9705
52 9CL 0.9698
53 B24 0.9695
54 PYZ 0.9687
55 1MR 0.9676
56 280 0.9674
57 GBL 0.9674
58 HHN 0.9672
59 MLI 0.9668
60 OHG 0.9667
61 8CL 0.9666
62 278 0.9654
63 NBE 0.9654
64 AMT 0.9649
65 JZ5 0.9637
66 3PY 0.9636
67 3MT 0.9635
68 JAB 0.9629
69 MLA 0.9624
70 BAQ 0.9618
71 CEJ 0.9616
72 J1Z 0.9614
73 BUA 0.9614
74 A2Q 0.9611
75 SAR 0.9606
76 PRO 0.9596
77 2PC 0.9596
78 25T 0.9595
79 3OH 0.9595
80 C5J 0.9584
81 93B 0.9583
82 C21 0.9572
83 MLM 0.9567
84 TTO 0.9563
85 HGW 0.9561
86 L60 0.9560
87 EGD 0.9559
88 TFB 0.9559
89 E60 0.9556
90 AOA 0.9551
91 AMC 0.9550
92 KG7 0.9539
93 DPR 0.9539
94 273 0.9534
95 TP5 0.9532
96 24T 0.9531
97 SMV 0.9531
98 2IM 0.9523
99 1DH 0.9514
100 FPI 0.9510
101 ATQ 0.9509
102 MMZ 0.9507
103 03W 0.9505
104 DGY 0.9505
105 HQE 0.9503
106 9X7 0.9500
107 URA 0.9500
108 265 0.9494
109 DXX 0.9490
110 PLQ 0.9477
111 GOL 0.9473
112 CYH 0.9472
113 69O 0.9469
114 BP9 0.9468
115 HAI 0.9463
116 LG3 0.9461
117 CYT 0.9457
118 51F 0.9457
119 CXL 0.9456
120 OXD 0.9456
121 MZW 0.9455
122 5AC 0.9454
123 AAE 0.9451
124 DA1 0.9450
125 RCO 0.9445
126 BAL 0.9444
127 SER 0.9442
128 V1L 0.9440
129 HUI 0.9439
130 7EX 0.9439
131 MTG 0.9438
132 LG4 0.9436
133 25R 0.9435
134 PCR 0.9427
135 BU4 0.9424
136 FPN 0.9424
137 BVF 0.9420
138 GAG 0.9420
139 MAK 0.9415
140 271 0.9413
141 MEU 0.9410
142 26D 0.9410
143 OXQ 0.9409
144 DEN 0.9408
145 SMB 0.9407
146 LG5 0.9404
147 DMG 0.9403
148 CRS 0.9399
149 PRS 0.9396
150 GVH 0.9395
151 PEL 0.9391
152 BMD 0.9390
153 H3M 0.9389
154 BEN 0.9389
155 PEA 0.9387
156 SLP 0.9387
157 PXY 0.9387
158 SSN 0.9386
159 MMU 0.9384
160 IND 0.9382
161 OXL 0.9380
162 NTN 0.9379
163 4JP 0.9376
164 LZ1 0.9375
165 8GF 0.9375
166 HIU 0.9373
167 1DQ 0.9372
168 HY1 0.9370
169 0CT 0.9367
170 BML 0.9367
171 3HL 0.9366
172 CIG 0.9365
173 3CH 0.9365
174 PZA 0.9362
175 6PC 0.9360
176 3ZS 0.9358
177 BUQ 0.9357
178 0R1 0.9354
179 VGL 0.9354
180 BZI 0.9353
181 IQ0 0.9350
182 P2D 0.9349
183 BEZ 0.9348
184 FW5 0.9345
185 CEE 0.9344
186 BAM 0.9344
187 4CH 0.9340
188 JZ7 0.9340
189 2HA 0.9338
190 NCA 0.9335
191 NIO 0.9334
192 IDM 0.9332
193 T2C 0.9328
194 9YL 0.9327
195 DSN 0.9327
196 MB3 0.9325
197 KIV 0.9322
198 A3B 0.9321
199 BZF 0.9319
200 RSO 0.9318
201 QSC 0.9316
202 3HR 0.9316
203 SS2 0.9315
204 39J 0.9315
205 BXO 0.9314
206 DE2 0.9309
207 ABA 0.9308
208 4XX 0.9306
209 CYS 0.9305
210 TZE 0.9304
211 PYR 0.9304
212 KSW 0.9303
213 HEW 0.9300
214 4HS 0.9299
215 NBZ 0.9296
216 HSE 0.9294
217 DCY 0.9294
218 4JN 0.9293
219 R2B 0.9291
220 MPI 0.9291
221 CHT 0.9291
222 SS1 0.9290
223 NVA 0.9284
224 GBD 0.9284
225 DUC 0.9283
226 THR 0.9281
227 XAP 0.9280
228 R1X 0.9277
229 LEA 0.9274
230 LDU 0.9273
231 ABU 0.9272
232 IOL 0.9271
233 IMR 0.9269
234 GLY 0.9268
235 FAH 0.9266
236 HCS 0.9265
237 AKR 0.9264
238 285 0.9263
239 1MC 0.9263
240 M3T 0.9259
241 B3R 0.9259
242 HYP 0.9257
243 OXM 0.9256
244 7WG 0.9255
245 PPI 0.9250
246 PYM 0.9248
247 3GR 0.9248
248 MRY 0.9248
249 HPY 0.9247
250 URF 0.9247
251 HY3 0.9245
252 HSL 0.9245
253 AKB 0.9243
254 PBC 0.9243
255 UNU 0.9243
256 1SP 0.9235
257 UY7 0.9234
258 TMZ 0.9232
259 YCP 0.9230
260 M58 0.9229
261 VAL 0.9228
262 GLV 0.9225
263 GOA 0.9222
264 1AC 0.9220
265 4H2 0.9218
266 BE7 0.9218
267 4JU 0.9212
268 HBA 0.9211
269 ALO 0.9210
270 C2N 0.9209
271 4AX 0.9206
272 TMT 0.9203
273 R8A 0.9202
274 MSF 0.9202
275 FAN 0.9201
276 HV2 0.9199
277 4HA 0.9198
278 HGQ 0.9195
279 1AB 0.9191
280 2RA 0.9190
281 TDR 0.9189
282 FP2 0.9189
283 AC0 0.9185
284 RP7 0.9184
285 SIN 0.9182
286 FUM 0.9182
287 BNS 0.9180
288 92Z 0.9179
289 HGY 0.9178
290 GXV 0.9177
291 NMU 0.9177
292 FJO 0.9176
293 DTI 0.9176
294 EDG 0.9175
295 DBB 0.9175
296 275 0.9174
297 CAQ 0.9173
298 4HO 0.9173
299 60P 0.9172
300 FLA 0.9170
301 BEW 0.9169
302 1AN 0.9165
303 BUB 0.9164
304 NIE 0.9164
305 8LG 0.9164
306 PCA 0.9163
307 PXO 0.9163
308 IT2 0.9160
309 HDA 0.9160
310 DMI 0.9160
311 IVA 0.9155
312 4ZE 0.9155
313 JZ1 0.9154
314 WBU 0.9154
315 L89 0.9153
316 2MH 0.9153
317 SGL 0.9153
318 284 0.9152
319 ECE 0.9149
320 NHY 0.9147
321 NCM 0.9146
322 ITU 0.9145
323 286 0.9144
324 MCT 0.9143
325 2AF 0.9143
326 HHQ 0.9141
327 C2A 0.9140
328 AGU 0.9139
329 ICP 0.9139
330 DAL 0.9137
331 LER 0.9135
332 14J 0.9135
333 ETF 0.9133
334 ALA 0.9131
335 IDH 0.9131
336 DTL 0.9131
337 AC5 0.9130
338 76X 0.9130
339 TZL 0.9129
340 ZBT 0.9129
341 BUO 0.9127
342 NK 0.9126
343 PAE 0.9126
344 2AC 0.9125
345 IHG 0.9122
346 23W 0.9122
347 4JL 0.9121
348 CP 0.9120
349 ICC 0.9118
350 2CH 0.9117
351 192 0.9117
352 MWM 0.9115
353 LAC 0.9114
354 NAK 0.9109
355 TH0 0.9109
356 IZC 0.9109
357 A8C 0.9108
358 JZ9 0.9106
359 CXF 0.9103
360 2OP 0.9103
361 JZ3 0.9101
362 40E 0.9097
363 ASP 0.9095
364 FBA 0.9091
365 93Q 0.9091
366 MRZ 0.9090
367 C2B 0.9088
368 A1U 0.9088
369 HVB 0.9087
370 MGX 0.9086
371 4CL 0.9084
372 ETX 0.9081
373 47J 0.9080
374 UYA 0.9079
375 ALQ 0.9079
376 F3V 0.9078
377 HZP 0.9077
378 RSF 0.9076
379 XYD 0.9076
380 OXE 0.9076
381 MAE 0.9065
382 4VP 0.9064
383 OAA 0.9062
384 3BB 0.9062
385 BAE 0.9058
386 NMG 0.9058
387 PUT 0.9053
388 34A 0.9053
389 2MP 0.9053
390 HAE 0.9053
391 ASN 0.9053
392 XPO 0.9051
393 SAT 0.9050
394 CIZ 0.9048
395 4JJ 0.9048
396 R3W 0.9047
397 HBS 0.9045
398 XBZ 0.9044
399 M6W 0.9039
400 F50 0.9039
401 HBR 0.9039
402 B20 0.9039
403 CSS 0.9039
404 JZ2 0.9037
405 FPY 0.9037
406 8X3 0.9036
407 0R0 0.9035
408 BTL 0.9034
409 BR9 0.9033
410 0PY 0.9030
411 PBE 0.9029
412 PHB 0.9029
413 CRN 0.9024
414 ATO 0.9024
415 XBT 0.9019
416 ETM 0.9018
417 NEQ 0.9013
418 5UC 0.9013
419 54D 0.9011
420 938 0.9005
421 P1R 0.9004
422 HTS 0.9003
423 FBJ 0.9000
424 2DR 0.9000
425 TAU 0.9000
426 27Y 0.8997
427 5Y9 0.8997
428 2YU 0.8996
429 JZ0 0.8995
430 THE 0.8993
431 IPU 0.8991
432 BNZ 0.8990
433 HT4 0.8986
434 NIS 0.8974
435 BXA 0.8973
436 3MC 0.8971
437 CRD 0.8961
438 COI 0.8961
439 PHZ 0.8960
440 NMJ 0.8960
441 5MH 0.8960
442 2HE 0.8956
443 DCL 0.8955
444 5JC 0.8952
445 ISU 0.8951
446 261 0.8950
447 PE9 0.8948
448 YHO 0.8943
449 1LN 0.8941
450 UGC 0.8937
451 43M 0.8936
452 BZX 0.8936
453 4JM 0.8929
454 6X8 0.8927
455 5H1 0.8925
456 TM7 0.8924
457 RIB 0.8922
458 MPD 0.8919
459 2K4 0.8917
460 FEH 0.8916
461 2A1 0.8910
462 VAH 0.8909
463 H8N 0.8908
464 40O 0.8906
465 MLT 0.8905
466 3U4 0.8903
467 1XX 0.8903
468 J3K 0.8903
469 LMR 0.8901
470 FQI 0.8898
471 4MV 0.8897
472 BE2 0.8896
473 TEO 0.8890
474 ILE 0.8890
475 1PT 0.8886
476 2LP 0.8886
477 BSX 0.8881
478 8GC 0.8879
479 9A4 0.8875
480 4JO 0.8874
481 4SV 0.8871
482 PYG 0.8871
483 RUU 0.8870
484 YAN 0.8870
485 JZ4 0.8869
486 LEU 0.8868
487 DAS 0.8868
488 DTT 0.8868
489 FLM 0.8865
490 SPA 0.8863
491 S0H 0.8862
492 Z82 0.8861
493 TSZ 0.8860
494 ITN 0.8858
495 9TY 0.8857
496 9EW 0.8856
497 PPF 0.8855
498 ISZ 0.8854
499 JKE 0.8851
500 270 0.8851
501 AX7 0.8851
502 IOM 0.8851
503 TAN 0.8850
504 1DV 0.8843
505 COM 0.8841
506 D2P 0.8840
507 KYD 0.8839
508 FFP 0.8838
509 SAL 0.8836
510 CMS 0.8835
511 VX 0.8835
512 F05 0.8835
513 PZI 0.8831
514 FUB 0.8831
515 2MI 0.8827
516 OK7 0.8826
517 AGK 0.8825
518 EFS 0.8824
519 5MI 0.8823
520 Y8I 0.8823
521 DTU 0.8823
522 Z6J 0.8823
523 POA 0.8822
524 3FA 0.8818
525 QY9 0.8815
526 AHR 0.8815
527 ES9 0.8814
528 10L 0.8813
529 MBD 0.8812
530 1WD 0.8811
531 HPA 0.8810
532 3ZQ 0.8810
533 KOJ 0.8809
534 P7I 0.8808
535 SNE 0.8808
536 9SB 0.8801
537 ES4 0.8800
538 7HP 0.8800
539 MTD 0.8800
540 MXN 0.8797
541 3CL 0.8795
542 3SK 0.8795
543 CNH 0.8795
544 61G 0.8794
545 ES6 0.8793
546 4CS 0.8793
547 I4B 0.8791
548 OPE 0.8791
549 1BP 0.8790
550 A20 0.8789
551 HLT 0.8789
552 CFI 0.8787
553 6MH 0.8786
554 2C9 0.8782
555 ADE 0.8782
556 1DJ 0.8781
557 HX2 0.8780
558 MNN 0.8780
559 MZG 0.8780
560 3MH 0.8780
561 IP0 0.8777
562 PM6 0.8773
563 VNJ 0.8771
564 6UA 0.8769
565 2XX 0.8768
566 H95 0.8761
567 IFM 0.8760
568 ORN 0.8759
569 TF4 0.8759
570 2MY 0.8757
571 O7U 0.8755
572 3NT 0.8755
573 3XX 0.8753
574 PGA 0.8752
575 ICN 0.8751
576 TB6 0.8746
577 NPO 0.8745
578 RBJ 0.8742
579 BHO 0.8739
580 7WV 0.8736
581 I1E 0.8735
582 DFB 0.8733
583 7VD 0.8732
584 3BZ 0.8729
585 7N0 0.8726
586 TAY 0.8725
587 0TR 0.8723
588 3AB 0.8721
589 9A7 0.8720
590 PMB 0.8719
591 2CO 0.8718
592 2CK 0.8715
593 GAB 0.8712
594 3HB 0.8711
595 WDL 0.8710
596 OXZ 0.8708
597 MED 0.8706
598 FCN 0.8706
599 YRL 0.8704
600 OVV 0.8703
601 XRG 0.8702
602 FB2 0.8699
603 TLA 0.8695
604 PAC 0.8692
605 PAB 0.8682
606 URP 0.8677
607 NIZ 0.8670
608 13D 0.8669
609 AC6 0.8669
610 VSO 0.8663
611 H76 0.8663
612 DCD 0.8662
613 ODV 0.8660
614 1Y6 0.8658
615 717 0.8657
616 AZF 0.8655
617 SRT 0.8654
618 DSS 0.8654
619 MET 0.8650
620 F81 0.8648
621 TB0 0.8647
622 GLL 0.8642
623 4MA 0.8639
624 53C 0.8634
625 MUC 0.8632
626 P72 0.8632
627 RIP 0.8625
628 TAR 0.8599
629 M4T 0.8588
630 98J 0.8586
631 XUL 0.8574
632 XYP 0.8571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XUB; Ligand: 43D; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 4xub.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6HDN FZB 27.3504
2 5IGL BMF 40.1709
3 4YC9 4C1 44.4444
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