Receptor
PDB id Resolution Class Description Source Keywords
4EH6 2.1 Å EC: 2.7.11.24 HUMAN P38 MAP KINASE IN COMPLEX WITH NP-F5 AND RL87 HOMO SAPIENS MAP KINASE INSERT KINASE-LIGAND COMPLEX NP-FRAGMENT TRANSTRANSFERASE INHIBITOR COMPLEX
Ref.: NATURAL-PRODUCT-DERIVED FRAGMENTS FOR FRAGMENT-BASE DISCOVERY. NAT CHEM V. 5 21 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0ON A:402;
Valid;
none;
submit data
198.221 C12 H10 N2 O c1ccc...
IRG A:401;
Valid;
none;
submit data
276.336 C17 H16 N4 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OUK 2.5 Å EC: 2.7.11.24 THE STRUCTURE OF P38 ALPHA IN COMPLEX WITH A PYRIDINYLIMIDAZOLE INHIBITOR HOMO SAPIENS MAP KINASE HYDROPHOBIC POCKET KINASE DOMAIN ATP BINDING DOMAIN TRANSFERASE
Ref.: STRUCTURAL BASIS FOR P38ALPHA MAP KINASE QUINAZOLINONE AND PYRIDOL-PYRIMIDINE INHIBITOR SPECIFICITY NAT.STRUCT.BIOL. V. 10 764 2003
Members (149)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 3GCV Kd = 74 nM SS6 C29 H30 N8 O Cc1cccc(c1....
2 3L8S Kd = 99 nM BFF C20 H24 Br F2 N5 O3 S c1c(cc(c(c....
3 3RIN ic50 = 1.3 nM I2O C23 H24 N2 O2 Cc1ccc(cc1....
4 5N65 - 8OT C20 H18 N4 S c1ccc(cc1)....
5 4FA2 - SB0 C20 H21 F N4 O2 COc1nccc(n....
6 2GHM - LIC C24 H28 Cl N5 O3 C[C@@H](C(....
7 1W84 ic50 = 35 uM L12 C15 H14 N2 c1ccc2c(c1....
8 4EH5 - IRG C17 H16 N4 c1ccc(cc1)....
9 2BAK Kd = 37 nM AQZ C32 H37 N7 O4 Cc1ccc(cc1....
10 3HV6 ic50 = 5500 nM R39 C27 H35 N5 O3 Cc1ccc(cc1....
11 3HP2 - P36 C19 H16 Br N O2 c1ccc(cc1)....
12 1WBO ic50 = 1 mM 2CH C6 H5 Cl O c1ccc(c(c1....
13 4KIQ ic50 = 23 nM 1RA C23 H23 N3 O4 CCOC(=O)n1....
14 3GC7 ic50 = 0.4 nM B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
15 4EH6 - IRG C17 H16 N4 c1ccc(cc1)....
16 5MTX Kd = 17.7 nM FJI C34 H31 F N4 O5 c1ccc(cc1)....
17 2ZB0 Ki = 0.24 uM GK3 C24 H18 N4 O2 Cc1ccc(cc1....
18 2GTM ic50 = 542 nM LID C19 H15 Cl F2 N6 CCn1c2c(cn....
19 5N66 - B96 C31 H37 N5 O3 Cc1ccc(cc1....
20 2YIX Kd = 3.3 nM YIX C19 H23 N5 O S CCNC(=O)NC....
21 3OCG ic50 = 3 nM OCG C21 H18 N6 O3 Cc1ccc(cc1....
22 1BL7 - SB4 C18 H19 F N6 c1cc(ccc1c....
23 3P7C ic50 = 0.022 uM P7C C25 H33 Cl2 N5 O3 S CC(C)(C)c1....
24 5TBE Kd = 4.4 nM 78L C33 H30 F2 N4 O4 S c1cc(sc1)C....
25 4KIP ic50 = 7 nM 1R9 C21 H18 Cl N3 O2 S Cc1ccc(cc1....
26 2EWA - SB2 C21 H16 F N3 O S C[S@](=O)c....
27 2GHL - LIB C23 H26 Cl N5 O3 C[C@@H](C(....
28 1ZZ2 ic50 = 6 uM B11 C24 H26 F N3 O4 S c1ccc(c(c1....
29 3ZSI - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
30 2YIW - YIW C30 H33 N7 O S CC(C)c1nnc....
31 1A9U - SB2 C21 H16 F N3 O S C[S@](=O)c....
32 1M7Q ic50 = 2.6 nM DQO C24 H20 Cl2 F2 N4 O c1cc(c(c(c....
33 5MTY Kd = 1.3 nM HB9 C29 H23 F2 N3 O4 S c1cc(sc1)C....
34 4EH7 - IRG C17 H16 N4 c1ccc(cc1)....
35 1YQJ ic50 = 7.3 nM 6NP C30 H27 N5 c1ccc(cc1)....
36 4EH3 - NAR C15 H12 O5 c1cc(ccc1[....
37 4AA5 ic50 = 6.7 nM NQB C24 H27 N5 O2 Cc1ccc(cc1....
38 1OVE ic50 = 0.74 nM 358 C26 H22 Cl2 F2 N2 O c1cc(c(c(c....
39 3UVP ic50 = 0.035 uM 048 C24 H21 F N2 O2 c1ccc(cc1)....
40 5N67 - 8ON C28 H30 N6 O CC(=O)N1CC....
41 3NNV ic50 = 27 nM 437 C25 H26 N4 O2 CC(C)(C)c1....
42 3CTQ ic50 = 40 nM 337 C30 H34 N6 O5 S Cc1ccc(cc1....
43 3IW7 - IPK C26 H26 N4 O S c1ccc(cc1)....
44 3ITZ ic50 = 1.4 nM P66 C21 H15 Cl F2 N6 O c1cc(c(c(c....
45 2ZB1 Ki = 0.48 uM GK4 C21 H21 N3 O2 Cc1ccc(cc1....
46 3HV5 ic50 = 150 nM R24 C30 H29 N7 O3 Cc1ccc(cc1....
47 1WBW ic50 = 44 uM LI4 C16 H14 N2 O c1ccc2c(c1....
48 3P79 ic50 = 2.3 uM P79 C24 H29 N5 O4 S CC(C)(C)c1....
49 3HV7 ic50 = 90 nM 1AU C24 H25 N5 O CC(C)(C)c1....
50 3GFE ic50 = 3.2 nM P37 C24 H21 F2 N5 O2 Cc1ccc(cc1....
51 3ZYA - 2A8 C21 H18 N2 O c1ccc2c(c1....
52 2RG5 ic50 = 3.1 nM 279 C19 H22 N6 O3 CCNC(=O)c1....
53 3L8X ic50 = 10 nM N4D C20 H18 N6 O Cc1ccc(cc1....
54 3GCS Kd = 56 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
55 3ZS5 - SB2 C21 H16 F N3 O S C[S@](=O)c....
56 3D83 Ki = 4.4 nM GK6 C28 H30 N4 O3 Cc1ccc(cc1....
57 1YW2 ic50 = 141 nM PGJ C22 H18 F N3 O5 CCOC[N@]1C....
58 1W82 ic50 = 196 nM L10 C20 H21 Cl N4 O CC(C)(C)C1....
59 3ZSG - T75 C24 H21 N3 O S CCc1nc(c(s....
60 5TCO Kd = 3.14 nM 79Q C35 H33 F N4 O4 c1ccc(cc1)....
61 4EH8 - IRG C17 H16 N4 c1ccc(cc1)....
62 3GCP Kd = 15 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
63 3HLL Ki = 0.0058 uM I45 C22 H19 Br F2 N2 O3 Cc1ccc(cc1....
64 1ZZL ic50 = 5 nM TZY C18 H15 F N4 O CC(C)c1nnc....
65 2RG6 ic50 = 2.2 nM 287 C25 H26 N6 O3 Cc1ccc(cc1....
66 3MPT ic50 = 0.25 uM 1GK C18 H16 N2 O3 Cc1ccccc1C....
67 1BL6 - SB6 C18 H16 F N3 c1cc(ccc1c....
68 3NNW ic50 = 9 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
69 3GI3 Kd < 1.8 nM B10 C33 H39 N5 O5 S CC(C)(C)c1....
70 3K3J - I46 C14 H9 F2 N3 c1cc(ccc1c....
71 3HEC ic50 = 70 uM STI C29 H31 N7 O Cc1ccc(cc1....
72 1IAN - D13 C21 H16 I N3 O S C[S@@](=O)....
73 3FC1 - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
74 3MVM ic50 = 13 nM 39P C22 H23 N7 O3 CCCNC(=O)c....
75 3NNU ic50 = 48 nM EDB C22 H17 Cl2 N5 O2 S c1cc(cc(c1....
76 1W7H ic50 = 1 mM 3IP C12 H12 N2 O c1ccc(cc1)....
77 3U8W ic50 = 1 nM 09J C24 H21 Cl F N5 O2 CCN1C(=O)C....
78 1WBS ic50 = 0.63 uM LI2 C26 H25 F N4 O2 c1cc2c(cc1....
79 4E6C Kd ~ 15 uM 0O8 C25 H53 N O4 P CCCCCCCCCC....
80 5N68 - 8OK C26 H27 N5 O c1ccc(cc1)....
81 1WBV ic50 = 162 uM LI3 C19 H18 F N3 O2 c1cc2c(cc[....
82 4EH2 - IRG C17 H16 N4 c1ccc(cc1)....
83 3HA8 - 5JZ C36 H38 N8 O5 CCOc1nc(nc....
84 3HEG ic50 = 0.057 uM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
85 2ZAZ Ki = 0.4 uM GK1 C20 H15 N3 O2 S Cc1ccc(cc1....
86 3HP5 - I46 C14 H9 F2 N3 c1cc(ccc1c....
87 5ML5 ic50 = 10 nM 1VI C26 H25 F N4 O3 S COc1ccc(c(....
88 4DLI Kd = 2.4 uM IRG C17 H16 N4 c1ccc(cc1)....
89 3P78 ic50 = 0.11 uM P78 C24 H27 N3 O4 S2 CC(C)(C)c1....
90 4EH9 - IRG C17 H16 N4 c1ccc(cc1)....
91 1YWR ic50 = 32 nM LI9 C27 H29 F N6 O C[C@@H](c1....
92 3IW5 Kd = 0.839 uM DF3 C28 H24 F3 N3 O4 S c1ccc2c(c1....
93 3HV3 ic50 = 900 nM R49 C30 H31 N7 O Cc1cccc(c1....
94 4A9Y - RNY C32 H37 N7 O4 Cc1ccc(cc1....
95 3GCU - R48 C29 H30 N8 O Cc1ccc(cc1....
96 1OUY ic50 = 4.3 nM 094 C24 H18 Cl2 F2 N4 O S c1cc(c(c(c....
97 3D7Z Ki = 12 nM GK5 C22 H24 N2 O2 Cc1ccc(cc1....
98 2YIS - YIS C35 H34 Cl N7 O3 S2 CC(C)(C)c1....
99 1OUK ic50 = 0.13 nM 084 C28 H29 F3 N6 C[C@@H](c1....
100 3BV2 Ki = 0.44 nM P38 C33 H32 N8 O3 Cc1ccc(cc1....
101 4R3C - GG5 C14 H10 F N3 c1cc(ccc1c....
102 4L8M ic50 = 0.001 uM F46 C33 H30 F N3 O5 c1ccc(cc1)....
103 4E6A - 0O9 C32 H65 O10 P CCCCCCCCCC....
104 1WBN ic50 = 0.35 uM L09 C20 H22 Cl N5 O2 CC(C)(C)c1....
105 2QD9 ic50 = 13 nM LGF C27 H24 F2 N6 O5 COC1=NC2=N....
106 3HUC Kd = 1030 nM G97 C20 H16 N6 O C=CC(=O)Nc....
107 3HL7 Ki = 0.023 uM I47 C20 H20 Cl N5 O2 c1cc(ccc1c....
108 4EHV - IRG C17 H16 N4 c1ccc(cc1)....
109 2GTN ic50 = 4 nM LIE C20 H16 F3 N5 O CC(C)n1c2c....
110 3HRB ic50 = 21 nM I39 C19 H14 F2 N2 O2 Cc1ccccc1c....
111 3BX5 ic50 = 1.5 nM 304 C17 H22 N4 O2 S CC[C@@H](C....
112 3HVC ic50 = 600 nM GG5 C14 H10 F N3 c1cc(ccc1c....
113 2GFS ic50 = 0.7 uM PQB C19 H18 F N3 O4 c1cc(cc(c1....
114 5N63 - 8OW C21 H17 F N4 c1ccc(cc1)....
115 2NPQ Kd = 3.08 uM BOG C14 H28 O6 CCCCCCCCO[....
116 3IW6 Kd = 3.29 uM PP0 C23 H31 N3 O3 CCn1c(c(c(....
117 3S4Q ic50 = 4 nM NK0 C25 H23 N5 O2 Cc1ccc(cc1....
118 2BAJ Kd = 4 nM 1PP C20 H20 Cl2 N4 O CC(C)(C)c1....
119 3ROC - 29B C14 H10 F N3 c1cc(ccc1c....
120 3NWW ic50 = 7 nM 3NW C24 H34 N8 O S CCNC(=O)NC....
121 1W83 ic50 = 0.065 uM L11 C23 H25 Cl F N3 O3 c1cc(cnc1)....
122 3ZSH - 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
123 3IPH Ki = 0.0000251 mM G11 C21 H23 N3 O2 Cc1ccc(cc1....
124 3P7B ic50 = 0.018 uM P7B C25 H28 N4 O3 S CC(C)(C)c1....
125 3GCQ Kd = 342 nM 1BU C29 H30 N8 O Cc1cccc(c1....
126 4F9Y Ki = 184 nM LM3 C21 H18 N4 CN(C)c1cc(....
127 2BAL Kd = 490 nM PQA C21 H21 F N4 O2 c1cc(cc(c1....
128 3HUB Kd = 8.2 nM 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
129 4F9W Ki = 114 nM LM4 C21 H18 N4 CN(C)c1cc(....
130 3P5K ic50 = 0.076 uM P5K C24 H27 N3 O4 S2 CC(C)(C)c1....
131 2I0H ic50 = 9 nM 222 C27 H19 Cl2 F N4 O3 c1ccc2c(c1....
132 1ZYJ ic50 = 1.5 uM BI5 C19 H16 N2 O2 c1ccc(cc1)....
133 3K3I - JZJ C18 H16 Br N3 c1ccc2c(c1....
134 1WBT ic50 = 0.34 uM WBT C26 H25 F N4 O2 c1cc(cc2c1....
135 1BMK - SB5 C17 H16 F N5 c1cc(ccc1c....
136 3E92 Ki = 10 nM G6A C21 H21 N3 O2 Cc1ccc(cc1....
137 3P7A ic50 = 0.52 uM P7A C23 H27 N3 O3 S2 CC(C)(C)c1....
138 3NNX ic50 = 11 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
139 4EH4 - IRG C17 H16 N4 c1ccc(cc1)....
140 1KV1 Kd = 1.16 uM BMU C15 H19 Cl N4 O CC(C)(C)c1....
141 3KF7 ic50 = 40 nM L9G C22 H18 F2 N4 O Cc1ccc(cc1....
142 4KIN ic50 = 4.8 nM 1M8 C22 H19 Cl N2 O2 S Cc1ccc(cc1....
143 4AA4 ic50 = 9 nM QC0 C25 H25 N5 O3 Cc1ccc(cc1....
144 3E93 Ki = 1.4 nM 19B C30 H32 N4 O3 Cc1ccc(cc1....
145 4AAC ic50 = 16 nM AAV C24 H24 N6 O3 Cc1ccc(cc1....
146 4AA0 ic50 = 35 nM AA0 C30 H33 N7 O3 Cc1ccc(cc1....
147 1OZ1 ic50 = 6.5 nM FPH C18 H12 F N3 O c1cc2c(c(c....
148 5N64 - 8OH C19 H16 N4 S c1ccc(cc1)....
149 3IW8 Kd = 13.4 uM HIZ C19 H18 Cl F N4 O2 S c1ccc(cc1)....
70% Homology Family (155)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3GCV Kd = 74 nM SS6 C29 H30 N8 O Cc1cccc(c1....
2 3L8S Kd = 99 nM BFF C20 H24 Br F2 N5 O3 S c1c(cc(c(c....
3 3RIN ic50 = 1.3 nM I2O C23 H24 N2 O2 Cc1ccc(cc1....
4 5N65 - 8OT C20 H18 N4 S c1ccc(cc1)....
5 4FA2 - SB0 C20 H21 F N4 O2 COc1nccc(n....
6 2GHM - LIC C24 H28 Cl N5 O3 C[C@@H](C(....
7 1W84 ic50 = 35 uM L12 C15 H14 N2 c1ccc2c(c1....
8 4EH5 - IRG C17 H16 N4 c1ccc(cc1)....
9 2BAK Kd = 37 nM AQZ C32 H37 N7 O4 Cc1ccc(cc1....
10 3HV6 ic50 = 5500 nM R39 C27 H35 N5 O3 Cc1ccc(cc1....
11 3HP2 - P36 C19 H16 Br N O2 c1ccc(cc1)....
12 1WBO ic50 = 1 mM 2CH C6 H5 Cl O c1ccc(c(c1....
13 4KIQ ic50 = 23 nM 1RA C23 H23 N3 O4 CCOC(=O)n1....
14 3GC7 ic50 = 0.4 nM B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
15 4EH6 - IRG C17 H16 N4 c1ccc(cc1)....
16 5MTX Kd = 17.7 nM FJI C34 H31 F N4 O5 c1ccc(cc1)....
17 2ZB0 Ki = 0.24 uM GK3 C24 H18 N4 O2 Cc1ccc(cc1....
18 2GTM ic50 = 542 nM LID C19 H15 Cl F2 N6 CCn1c2c(cn....
19 5N66 - B96 C31 H37 N5 O3 Cc1ccc(cc1....
20 2YIX Kd = 3.3 nM YIX C19 H23 N5 O S CCNC(=O)NC....
21 3OCG ic50 = 3 nM OCG C21 H18 N6 O3 Cc1ccc(cc1....
22 1BL7 - SB4 C18 H19 F N6 c1cc(ccc1c....
23 3P7C ic50 = 0.022 uM P7C C25 H33 Cl2 N5 O3 S CC(C)(C)c1....
24 5TBE Kd = 4.4 nM 78L C33 H30 F2 N4 O4 S c1cc(sc1)C....
25 4KIP ic50 = 7 nM 1R9 C21 H18 Cl N3 O2 S Cc1ccc(cc1....
26 2EWA - SB2 C21 H16 F N3 O S C[S@](=O)c....
27 2GHL - LIB C23 H26 Cl N5 O3 C[C@@H](C(....
28 1ZZ2 ic50 = 6 uM B11 C24 H26 F N3 O4 S c1ccc(c(c1....
29 3ZSI - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
30 2YIW - YIW C30 H33 N7 O S CC(C)c1nnc....
31 1A9U - SB2 C21 H16 F N3 O S C[S@](=O)c....
32 1M7Q ic50 = 2.6 nM DQO C24 H20 Cl2 F2 N4 O c1cc(c(c(c....
33 5MTY Kd = 1.3 nM HB9 C29 H23 F2 N3 O4 S c1cc(sc1)C....
34 4EH7 - IRG C17 H16 N4 c1ccc(cc1)....
35 1YQJ ic50 = 7.3 nM 6NP C30 H27 N5 c1ccc(cc1)....
36 4EH3 - NAR C15 H12 O5 c1cc(ccc1[....
37 4AA5 ic50 = 6.7 nM NQB C24 H27 N5 O2 Cc1ccc(cc1....
38 1OVE ic50 = 0.74 nM 358 C26 H22 Cl2 F2 N2 O c1cc(c(c(c....
39 3UVP ic50 = 0.035 uM 048 C24 H21 F N2 O2 c1ccc(cc1)....
40 5N67 - 8ON C28 H30 N6 O CC(=O)N1CC....
41 3NNV ic50 = 27 nM 437 C25 H26 N4 O2 CC(C)(C)c1....
42 3CTQ ic50 = 40 nM 337 C30 H34 N6 O5 S Cc1ccc(cc1....
43 3IW7 - IPK C26 H26 N4 O S c1ccc(cc1)....
44 3ITZ ic50 = 1.4 nM P66 C21 H15 Cl F2 N6 O c1cc(c(c(c....
45 2ZB1 Ki = 0.48 uM GK4 C21 H21 N3 O2 Cc1ccc(cc1....
46 3HV5 ic50 = 150 nM R24 C30 H29 N7 O3 Cc1ccc(cc1....
47 1WBW ic50 = 44 uM LI4 C16 H14 N2 O c1ccc2c(c1....
48 3P79 ic50 = 2.3 uM P79 C24 H29 N5 O4 S CC(C)(C)c1....
49 3HV7 ic50 = 90 nM 1AU C24 H25 N5 O CC(C)(C)c1....
50 3GFE ic50 = 3.2 nM P37 C24 H21 F2 N5 O2 Cc1ccc(cc1....
51 3ZYA - 2A8 C21 H18 N2 O c1ccc2c(c1....
52 2RG5 ic50 = 3.1 nM 279 C19 H22 N6 O3 CCNC(=O)c1....
53 3L8X ic50 = 10 nM N4D C20 H18 N6 O Cc1ccc(cc1....
54 3GCS Kd = 56 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
55 3ZS5 - SB2 C21 H16 F N3 O S C[S@](=O)c....
56 3D83 Ki = 4.4 nM GK6 C28 H30 N4 O3 Cc1ccc(cc1....
57 1YW2 ic50 = 141 nM PGJ C22 H18 F N3 O5 CCOC[N@]1C....
58 1W82 ic50 = 196 nM L10 C20 H21 Cl N4 O CC(C)(C)C1....
59 3ZSG - T75 C24 H21 N3 O S CCc1nc(c(s....
60 5TCO Kd = 3.14 nM 79Q C35 H33 F N4 O4 c1ccc(cc1)....
61 4EH8 - IRG C17 H16 N4 c1ccc(cc1)....
62 3GCP Kd = 15 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
63 3HLL Ki = 0.0058 uM I45 C22 H19 Br F2 N2 O3 Cc1ccc(cc1....
64 1ZZL ic50 = 5 nM TZY C18 H15 F N4 O CC(C)c1nnc....
65 2RG6 ic50 = 2.2 nM 287 C25 H26 N6 O3 Cc1ccc(cc1....
66 3MPT ic50 = 0.25 uM 1GK C18 H16 N2 O3 Cc1ccccc1C....
67 1BL6 - SB6 C18 H16 F N3 c1cc(ccc1c....
68 3NNW ic50 = 9 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
69 3GI3 Kd < 1.8 nM B10 C33 H39 N5 O5 S CC(C)(C)c1....
70 3K3J - I46 C14 H9 F2 N3 c1cc(ccc1c....
71 3HEC ic50 = 70 uM STI C29 H31 N7 O Cc1ccc(cc1....
72 1IAN - D13 C21 H16 I N3 O S C[S@@](=O)....
73 3FC1 - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
74 3MVM ic50 = 13 nM 39P C22 H23 N7 O3 CCCNC(=O)c....
75 3NNU ic50 = 48 nM EDB C22 H17 Cl2 N5 O2 S c1cc(cc(c1....
76 1W7H ic50 = 1 mM 3IP C12 H12 N2 O c1ccc(cc1)....
77 3U8W ic50 = 1 nM 09J C24 H21 Cl F N5 O2 CCN1C(=O)C....
78 1WBS ic50 = 0.63 uM LI2 C26 H25 F N4 O2 c1cc2c(cc1....
79 4E6C Kd ~ 15 uM 0O8 C25 H53 N O4 P CCCCCCCCCC....
80 5N68 - 8OK C26 H27 N5 O c1ccc(cc1)....
81 1WBV ic50 = 162 uM LI3 C19 H18 F N3 O2 c1cc2c(cc[....
82 4EH2 - IRG C17 H16 N4 c1ccc(cc1)....
83 3HA8 - 5JZ C36 H38 N8 O5 CCOc1nc(nc....
84 3HEG ic50 = 0.057 uM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
85 2ZAZ Ki = 0.4 uM GK1 C20 H15 N3 O2 S Cc1ccc(cc1....
86 3HP5 - I46 C14 H9 F2 N3 c1cc(ccc1c....
87 5ML5 ic50 = 10 nM 1VI C26 H25 F N4 O3 S COc1ccc(c(....
88 4DLI Kd = 2.4 uM IRG C17 H16 N4 c1ccc(cc1)....
89 3P78 ic50 = 0.11 uM P78 C24 H27 N3 O4 S2 CC(C)(C)c1....
90 4EH9 - IRG C17 H16 N4 c1ccc(cc1)....
91 1YWR ic50 = 32 nM LI9 C27 H29 F N6 O C[C@@H](c1....
92 3IW5 Kd = 0.839 uM DF3 C28 H24 F3 N3 O4 S c1ccc2c(c1....
93 3HV3 ic50 = 900 nM R49 C30 H31 N7 O Cc1cccc(c1....
94 4A9Y - RNY C32 H37 N7 O4 Cc1ccc(cc1....
95 3GCU - R48 C29 H30 N8 O Cc1ccc(cc1....
96 1OUY ic50 = 4.3 nM 094 C24 H18 Cl2 F2 N4 O S c1cc(c(c(c....
97 3D7Z Ki = 12 nM GK5 C22 H24 N2 O2 Cc1ccc(cc1....
98 2YIS - YIS C35 H34 Cl N7 O3 S2 CC(C)(C)c1....
99 1OUK ic50 = 0.13 nM 084 C28 H29 F3 N6 C[C@@H](c1....
100 3BV2 Ki = 0.44 nM P38 C33 H32 N8 O3 Cc1ccc(cc1....
101 4R3C - GG5 C14 H10 F N3 c1cc(ccc1c....
102 4L8M ic50 = 0.001 uM F46 C33 H30 F N3 O5 c1ccc(cc1)....
103 4E6A - 0O9 C32 H65 O10 P CCCCCCCCCC....
104 1WBN ic50 = 0.35 uM L09 C20 H22 Cl N5 O2 CC(C)(C)c1....
105 2QD9 ic50 = 13 nM LGF C27 H24 F2 N6 O5 COC1=NC2=N....
106 3HUC Kd = 1030 nM G97 C20 H16 N6 O C=CC(=O)Nc....
107 3HL7 Ki = 0.023 uM I47 C20 H20 Cl N5 O2 c1cc(ccc1c....
108 4EHV - IRG C17 H16 N4 c1ccc(cc1)....
109 2GTN ic50 = 4 nM LIE C20 H16 F3 N5 O CC(C)n1c2c....
110 3HRB ic50 = 21 nM I39 C19 H14 F2 N2 O2 Cc1ccccc1c....
111 3BX5 ic50 = 1.5 nM 304 C17 H22 N4 O2 S CC[C@@H](C....
112 3HVC ic50 = 600 nM GG5 C14 H10 F N3 c1cc(ccc1c....
113 2GFS ic50 = 0.7 uM PQB C19 H18 F N3 O4 c1cc(cc(c1....
114 5N63 - 8OW C21 H17 F N4 c1ccc(cc1)....
115 2NPQ Kd = 3.08 uM BOG C14 H28 O6 CCCCCCCCO[....
116 3IW6 Kd = 3.29 uM PP0 C23 H31 N3 O3 CCn1c(c(c(....
117 3S4Q ic50 = 4 nM NK0 C25 H23 N5 O2 Cc1ccc(cc1....
118 2BAJ Kd = 4 nM 1PP C20 H20 Cl2 N4 O CC(C)(C)c1....
119 3ROC - 29B C14 H10 F N3 c1cc(ccc1c....
120 3NWW ic50 = 7 nM 3NW C24 H34 N8 O S CCNC(=O)NC....
121 1W83 ic50 = 0.065 uM L11 C23 H25 Cl F N3 O3 c1cc(cnc1)....
122 3ZSH - 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
123 3IPH Ki = 0.0000251 mM G11 C21 H23 N3 O2 Cc1ccc(cc1....
124 3P7B ic50 = 0.018 uM P7B C25 H28 N4 O3 S CC(C)(C)c1....
125 3GCQ Kd = 342 nM 1BU C29 H30 N8 O Cc1cccc(c1....
126 4F9Y Ki = 184 nM LM3 C21 H18 N4 CN(C)c1cc(....
127 2BAL Kd = 490 nM PQA C21 H21 F N4 O2 c1cc(cc(c1....
128 3HUB Kd = 8.2 nM 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
129 4F9W Ki = 114 nM LM4 C21 H18 N4 CN(C)c1cc(....
130 3P5K ic50 = 0.076 uM P5K C24 H27 N3 O4 S2 CC(C)(C)c1....
131 2I0H ic50 = 9 nM 222 C27 H19 Cl2 F N4 O3 c1ccc2c(c1....
132 1ZYJ ic50 = 1.5 uM BI5 C19 H16 N2 O2 c1ccc(cc1)....
133 3K3I - JZJ C18 H16 Br N3 c1ccc2c(c1....
134 1WBT ic50 = 0.34 uM WBT C26 H25 F N4 O2 c1cc(cc2c1....
135 1BMK - SB5 C17 H16 F N5 c1cc(ccc1c....
136 3E92 Ki = 10 nM G6A C21 H21 N3 O2 Cc1ccc(cc1....
137 3P7A ic50 = 0.52 uM P7A C23 H27 N3 O3 S2 CC(C)(C)c1....
138 3NNX ic50 = 11 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
139 4EH4 - IRG C17 H16 N4 c1ccc(cc1)....
140 1KV1 Kd = 1.16 uM BMU C15 H19 Cl N4 O CC(C)(C)c1....
141 3KF7 ic50 = 40 nM L9G C22 H18 F2 N4 O Cc1ccc(cc1....
142 4KIN ic50 = 4.8 nM 1M8 C22 H19 Cl N2 O2 S Cc1ccc(cc1....
143 4AA4 ic50 = 9 nM QC0 C25 H25 N5 O3 Cc1ccc(cc1....
144 3E93 Ki = 1.4 nM 19B C30 H32 N4 O3 Cc1ccc(cc1....
145 4AAC ic50 = 16 nM AAV C24 H24 N6 O3 Cc1ccc(cc1....
146 4AA0 ic50 = 35 nM AA0 C30 H33 N7 O3 Cc1ccc(cc1....
147 1OZ1 ic50 = 6.5 nM FPH C18 H12 F N3 O c1cc2c(c(c....
148 5N64 - 8OH C19 H16 N4 S c1ccc(cc1)....
149 3IW8 Kd = 13.4 uM HIZ C19 H18 Cl F N4 O2 S c1ccc(cc1)....
150 3GC8 - B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
151 3GC9 - B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
152 4EYM - 0RX C21 H20 N4 O3 c1cc(ccc1N....
153 5EKO ic50 = 15785 nM N17 C22 H18 N4 O2 Cc1cn(cn1)....
154 4EYJ - N61 C20 H23 N5 O2 CC(C)(C)c1....
155 1CM8 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (257)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3GCV Kd = 74 nM SS6 C29 H30 N8 O Cc1cccc(c1....
2 3L8S Kd = 99 nM BFF C20 H24 Br F2 N5 O3 S c1c(cc(c(c....
3 3RIN ic50 = 1.3 nM I2O C23 H24 N2 O2 Cc1ccc(cc1....
4 5N65 - 8OT C20 H18 N4 S c1ccc(cc1)....
5 4FA2 - SB0 C20 H21 F N4 O2 COc1nccc(n....
6 2GHM - LIC C24 H28 Cl N5 O3 C[C@@H](C(....
7 1W84 ic50 = 35 uM L12 C15 H14 N2 c1ccc2c(c1....
8 4EH5 - IRG C17 H16 N4 c1ccc(cc1)....
9 2BAK Kd = 37 nM AQZ C32 H37 N7 O4 Cc1ccc(cc1....
10 3HV6 ic50 = 5500 nM R39 C27 H35 N5 O3 Cc1ccc(cc1....
11 3HP2 - P36 C19 H16 Br N O2 c1ccc(cc1)....
12 1WBO ic50 = 1 mM 2CH C6 H5 Cl O c1ccc(c(c1....
13 4KIQ ic50 = 23 nM 1RA C23 H23 N3 O4 CCOC(=O)n1....
14 3GC7 ic50 = 0.4 nM B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
15 4EH6 - IRG C17 H16 N4 c1ccc(cc1)....
16 5MTX Kd = 17.7 nM FJI C34 H31 F N4 O5 c1ccc(cc1)....
17 2ZB0 Ki = 0.24 uM GK3 C24 H18 N4 O2 Cc1ccc(cc1....
18 2GTM ic50 = 542 nM LID C19 H15 Cl F2 N6 CCn1c2c(cn....
19 5N66 - B96 C31 H37 N5 O3 Cc1ccc(cc1....
20 2YIX Kd = 3.3 nM YIX C19 H23 N5 O S CCNC(=O)NC....
21 3OCG ic50 = 3 nM OCG C21 H18 N6 O3 Cc1ccc(cc1....
22 1BL7 - SB4 C18 H19 F N6 c1cc(ccc1c....
23 3P7C ic50 = 0.022 uM P7C C25 H33 Cl2 N5 O3 S CC(C)(C)c1....
24 5TBE Kd = 4.4 nM 78L C33 H30 F2 N4 O4 S c1cc(sc1)C....
25 4KIP ic50 = 7 nM 1R9 C21 H18 Cl N3 O2 S Cc1ccc(cc1....
26 2EWA - SB2 C21 H16 F N3 O S C[S@](=O)c....
27 2GHL - LIB C23 H26 Cl N5 O3 C[C@@H](C(....
28 1ZZ2 ic50 = 6 uM B11 C24 H26 F N3 O4 S c1ccc(c(c1....
29 3ZSI - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
30 2YIW - YIW C30 H33 N7 O S CC(C)c1nnc....
31 1A9U - SB2 C21 H16 F N3 O S C[S@](=O)c....
32 1M7Q ic50 = 2.6 nM DQO C24 H20 Cl2 F2 N4 O c1cc(c(c(c....
33 5MTY Kd = 1.3 nM HB9 C29 H23 F2 N3 O4 S c1cc(sc1)C....
34 4EH7 - IRG C17 H16 N4 c1ccc(cc1)....
35 1YQJ ic50 = 7.3 nM 6NP C30 H27 N5 c1ccc(cc1)....
36 4EH3 - NAR C15 H12 O5 c1cc(ccc1[....
37 4AA5 ic50 = 6.7 nM NQB C24 H27 N5 O2 Cc1ccc(cc1....
38 1OVE ic50 = 0.74 nM 358 C26 H22 Cl2 F2 N2 O c1cc(c(c(c....
39 3UVP ic50 = 0.035 uM 048 C24 H21 F N2 O2 c1ccc(cc1)....
40 5N67 - 8ON C28 H30 N6 O CC(=O)N1CC....
41 3NNV ic50 = 27 nM 437 C25 H26 N4 O2 CC(C)(C)c1....
42 3CTQ ic50 = 40 nM 337 C30 H34 N6 O5 S Cc1ccc(cc1....
43 3IW7 - IPK C26 H26 N4 O S c1ccc(cc1)....
44 3ITZ ic50 = 1.4 nM P66 C21 H15 Cl F2 N6 O c1cc(c(c(c....
45 2ZB1 Ki = 0.48 uM GK4 C21 H21 N3 O2 Cc1ccc(cc1....
46 3HV5 ic50 = 150 nM R24 C30 H29 N7 O3 Cc1ccc(cc1....
47 1WBW ic50 = 44 uM LI4 C16 H14 N2 O c1ccc2c(c1....
48 3P79 ic50 = 2.3 uM P79 C24 H29 N5 O4 S CC(C)(C)c1....
49 3HV7 ic50 = 90 nM 1AU C24 H25 N5 O CC(C)(C)c1....
50 3GFE ic50 = 3.2 nM P37 C24 H21 F2 N5 O2 Cc1ccc(cc1....
51 3ZYA - 2A8 C21 H18 N2 O c1ccc2c(c1....
52 2RG5 ic50 = 3.1 nM 279 C19 H22 N6 O3 CCNC(=O)c1....
53 3L8X ic50 = 10 nM N4D C20 H18 N6 O Cc1ccc(cc1....
54 3GCS Kd = 56 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
55 3ZS5 - SB2 C21 H16 F N3 O S C[S@](=O)c....
56 3D83 Ki = 4.4 nM GK6 C28 H30 N4 O3 Cc1ccc(cc1....
57 1YW2 ic50 = 141 nM PGJ C22 H18 F N3 O5 CCOC[N@]1C....
58 1W82 ic50 = 196 nM L10 C20 H21 Cl N4 O CC(C)(C)C1....
59 3ZSG - T75 C24 H21 N3 O S CCc1nc(c(s....
60 5TCO Kd = 3.14 nM 79Q C35 H33 F N4 O4 c1ccc(cc1)....
61 4EH8 - IRG C17 H16 N4 c1ccc(cc1)....
62 3GCP Kd = 15 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
63 3HLL Ki = 0.0058 uM I45 C22 H19 Br F2 N2 O3 Cc1ccc(cc1....
64 1ZZL ic50 = 5 nM TZY C18 H15 F N4 O CC(C)c1nnc....
65 2RG6 ic50 = 2.2 nM 287 C25 H26 N6 O3 Cc1ccc(cc1....
66 3MPT ic50 = 0.25 uM 1GK C18 H16 N2 O3 Cc1ccccc1C....
67 1BL6 - SB6 C18 H16 F N3 c1cc(ccc1c....
68 3NNW ic50 = 9 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
69 3GI3 Kd < 1.8 nM B10 C33 H39 N5 O5 S CC(C)(C)c1....
70 3K3J - I46 C14 H9 F2 N3 c1cc(ccc1c....
71 3HEC ic50 = 70 uM STI C29 H31 N7 O Cc1ccc(cc1....
72 1IAN - D13 C21 H16 I N3 O S C[S@@](=O)....
73 3FC1 - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
74 3MVM ic50 = 13 nM 39P C22 H23 N7 O3 CCCNC(=O)c....
75 3NNU ic50 = 48 nM EDB C22 H17 Cl2 N5 O2 S c1cc(cc(c1....
76 1W7H ic50 = 1 mM 3IP C12 H12 N2 O c1ccc(cc1)....
77 3U8W ic50 = 1 nM 09J C24 H21 Cl F N5 O2 CCN1C(=O)C....
78 1WBS ic50 = 0.63 uM LI2 C26 H25 F N4 O2 c1cc2c(cc1....
79 4E6C Kd ~ 15 uM 0O8 C25 H53 N O4 P CCCCCCCCCC....
80 5N68 - 8OK C26 H27 N5 O c1ccc(cc1)....
81 1WBV ic50 = 162 uM LI3 C19 H18 F N3 O2 c1cc2c(cc[....
82 4EH2 - IRG C17 H16 N4 c1ccc(cc1)....
83 3HA8 - 5JZ C36 H38 N8 O5 CCOc1nc(nc....
84 3HEG ic50 = 0.057 uM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
85 2ZAZ Ki = 0.4 uM GK1 C20 H15 N3 O2 S Cc1ccc(cc1....
86 3HP5 - I46 C14 H9 F2 N3 c1cc(ccc1c....
87 5ML5 ic50 = 10 nM 1VI C26 H25 F N4 O3 S COc1ccc(c(....
88 4DLI Kd = 2.4 uM IRG C17 H16 N4 c1ccc(cc1)....
89 3P78 ic50 = 0.11 uM P78 C24 H27 N3 O4 S2 CC(C)(C)c1....
90 4EH9 - IRG C17 H16 N4 c1ccc(cc1)....
91 1YWR ic50 = 32 nM LI9 C27 H29 F N6 O C[C@@H](c1....
92 3IW5 Kd = 0.839 uM DF3 C28 H24 F3 N3 O4 S c1ccc2c(c1....
93 3HV3 ic50 = 900 nM R49 C30 H31 N7 O Cc1cccc(c1....
94 4A9Y - RNY C32 H37 N7 O4 Cc1ccc(cc1....
95 3GCU - R48 C29 H30 N8 O Cc1ccc(cc1....
96 1OUY ic50 = 4.3 nM 094 C24 H18 Cl2 F2 N4 O S c1cc(c(c(c....
97 3D7Z Ki = 12 nM GK5 C22 H24 N2 O2 Cc1ccc(cc1....
98 2YIS - YIS C35 H34 Cl N7 O3 S2 CC(C)(C)c1....
99 1OUK ic50 = 0.13 nM 084 C28 H29 F3 N6 C[C@@H](c1....
100 3BV2 Ki = 0.44 nM P38 C33 H32 N8 O3 Cc1ccc(cc1....
101 4R3C - GG5 C14 H10 F N3 c1cc(ccc1c....
102 4L8M ic50 = 0.001 uM F46 C33 H30 F N3 O5 c1ccc(cc1)....
103 4E6A - 0O9 C32 H65 O10 P CCCCCCCCCC....
104 1WBN ic50 = 0.35 uM L09 C20 H22 Cl N5 O2 CC(C)(C)c1....
105 2QD9 ic50 = 13 nM LGF C27 H24 F2 N6 O5 COC1=NC2=N....
106 3HUC Kd = 1030 nM G97 C20 H16 N6 O C=CC(=O)Nc....
107 3HL7 Ki = 0.023 uM I47 C20 H20 Cl N5 O2 c1cc(ccc1c....
108 4EHV - IRG C17 H16 N4 c1ccc(cc1)....
109 2GTN ic50 = 4 nM LIE C20 H16 F3 N5 O CC(C)n1c2c....
110 3HRB ic50 = 21 nM I39 C19 H14 F2 N2 O2 Cc1ccccc1c....
111 3BX5 ic50 = 1.5 nM 304 C17 H22 N4 O2 S CC[C@@H](C....
112 3HVC ic50 = 600 nM GG5 C14 H10 F N3 c1cc(ccc1c....
113 2GFS ic50 = 0.7 uM PQB C19 H18 F N3 O4 c1cc(cc(c1....
114 5N63 - 8OW C21 H17 F N4 c1ccc(cc1)....
115 2NPQ Kd = 3.08 uM BOG C14 H28 O6 CCCCCCCCO[....
116 3IW6 Kd = 3.29 uM PP0 C23 H31 N3 O3 CCn1c(c(c(....
117 3S4Q ic50 = 4 nM NK0 C25 H23 N5 O2 Cc1ccc(cc1....
118 2BAJ Kd = 4 nM 1PP C20 H20 Cl2 N4 O CC(C)(C)c1....
119 3ROC - 29B C14 H10 F N3 c1cc(ccc1c....
120 3NWW ic50 = 7 nM 3NW C24 H34 N8 O S CCNC(=O)NC....
121 1W83 ic50 = 0.065 uM L11 C23 H25 Cl F N3 O3 c1cc(cnc1)....
122 3ZSH - 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
123 3IPH Ki = 0.0000251 mM G11 C21 H23 N3 O2 Cc1ccc(cc1....
124 3P7B ic50 = 0.018 uM P7B C25 H28 N4 O3 S CC(C)(C)c1....
125 3GCQ Kd = 342 nM 1BU C29 H30 N8 O Cc1cccc(c1....
126 4F9Y Ki = 184 nM LM3 C21 H18 N4 CN(C)c1cc(....
127 2BAL Kd = 490 nM PQA C21 H21 F N4 O2 c1cc(cc(c1....
128 3HUB Kd = 8.2 nM 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
129 4F9W Ki = 114 nM LM4 C21 H18 N4 CN(C)c1cc(....
130 3P5K ic50 = 0.076 uM P5K C24 H27 N3 O4 S2 CC(C)(C)c1....
131 2I0H ic50 = 9 nM 222 C27 H19 Cl2 F N4 O3 c1ccc2c(c1....
132 1ZYJ ic50 = 1.5 uM BI5 C19 H16 N2 O2 c1ccc(cc1)....
133 3K3I - JZJ C18 H16 Br N3 c1ccc2c(c1....
134 1WBT ic50 = 0.34 uM WBT C26 H25 F N4 O2 c1cc(cc2c1....
135 1BMK - SB5 C17 H16 F N5 c1cc(ccc1c....
136 3E92 Ki = 10 nM G6A C21 H21 N3 O2 Cc1ccc(cc1....
137 3P7A ic50 = 0.52 uM P7A C23 H27 N3 O3 S2 CC(C)(C)c1....
138 3NNX ic50 = 11 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
139 4EH4 - IRG C17 H16 N4 c1ccc(cc1)....
140 1KV1 Kd = 1.16 uM BMU C15 H19 Cl N4 O CC(C)(C)c1....
141 3KF7 ic50 = 40 nM L9G C22 H18 F2 N4 O Cc1ccc(cc1....
142 4KIN ic50 = 4.8 nM 1M8 C22 H19 Cl N2 O2 S Cc1ccc(cc1....
143 4AA4 ic50 = 9 nM QC0 C25 H25 N5 O3 Cc1ccc(cc1....
144 3E93 Ki = 1.4 nM 19B C30 H32 N4 O3 Cc1ccc(cc1....
145 4AAC ic50 = 16 nM AAV C24 H24 N6 O3 Cc1ccc(cc1....
146 4AA0 ic50 = 35 nM AA0 C30 H33 N7 O3 Cc1ccc(cc1....
147 1OZ1 ic50 = 6.5 nM FPH C18 H12 F N3 O c1cc2c(c(c....
148 5N64 - 8OH C19 H16 N4 S c1ccc(cc1)....
149 3IW8 Kd = 13.4 uM HIZ C19 H18 Cl F N4 O2 S c1ccc(cc1)....
150 3TTI ic50 = 0.006 uM KBI C21 H23 F3 N6 O2 c1c(cc(c(c....
151 3TTJ ic50 = 0.21 uM JBI C23 H23 F N6 O COc1ccc(cc....
152 1JNK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
153 4H3B Kd = 17.2 uM VAL VAL ARG PRO GLY SER LEU ASP LEU PRO n/a n/a
154 3KVX ic50 = 0.148 uM FMY C26 H27 F N8 O2 c1cc(ccc1/....
155 4H39 Kd = 0.8 uM PRO LYS ARG PRO THR THR LEU ASN LEU PHE n/a n/a
156 4AWI ic50 = 1 uM AQ2 C21 H25 N3 O4 S2 CC(C)c1cc2....
157 2O0U ic50 = 3.2 uM C0M C27 H28 N4 O2 S c1ccc2c(c1....
158 2P33 ic50 = 57 nM J07 C20 H23 Cl N6 O CCNC(=O)N1....
159 2ZDU - 446 C28 H23 Br N2 O6 COC(=O)C1=....
160 2B1P ic50 = 3 nM AIZ C26 H26 Cl N5 O3 CN(C)CCCC(....
161 2OK1 Ki = 0.55 uM 33A C21 H17 Cl N4 O c1ccc(cc1)....
162 3OXI ic50 = 2.2 uM SYY C12 H11 N O3 S2 COC(=O)c1c....
163 3OY1 ic50 = 0.016 uM 589 C28 H31 N5 O2 c1ccc2cc(c....
164 2ZDT - 46C C26 H20 Cl N O4 CCC(=O)C1=....
165 3ELJ - GS7 C22 H21 F N6 O4 S COc1cc(ccc....
166 3FI2 ic50 = 0.025 uM JK1 C26 H25 N5 O5 COc1cc(cc(....
167 4L7F ic50 = 160 nM 1V5 C26 H26 F N5 O2 c1cc(ccc1C....
168 2WAJ ic50 = 0.398 uM SNB C16 H13 Br Cl N O COc1cc2c(c....
169 4QTD ic50 = 1080 nM 38Z C33 H33 N9 O2 c1cnc(nc1)....
170 3G9L Ki = 0.74 uM J67 C25 H19 F N2 O4 c1ccc(cc1)....
171 4Y46 ic50 = 11 nM 4F2 C22 H32 N6 O2 CC(C)NC(=O....
172 1PMN ic50 = 7.1 nM 984 C25 H30 Cl2 N6 CCCn1c(c(n....
173 3FI3 ic50 = 12 nM JK2 C29 H25 F N4 O4 COc1cc(cc(....
174 2O2U ic50 = 4 uM 738 C16 H13 F N2 O S c1ccc(c(c1....
175 4W4V ic50 = 866 nM 3H8 C23 H19 Cl N6 O2 Cc1cc(ccn1....
176 3DA6 - BZ9 C28 H23 N7 O Cc1cc(c2cc....
177 2R9S ic50 = 0.15 uM 255 C24 H24 N4 O2 S CC(C)(C)NS....
178 4Y5H ic50 = 15 nM 519 C20 H30 N6 O2 CC(C)NC(=O....
179 4X21 Kd = 36 nM 3WH C20 H23 I N6 O CCNC(=O)N1....
180 3RTP ic50 = 7 nM 34I C18 H14 N6 O2 S c1ccc2c(c1....
181 3PZE - CFK C12 H11 N3 O2 S c1ccc(cc1)....
182 4Z9L ic50 = 1.6 nM 880 C27 H34 Cl2 N6 CCCn1c(c(n....
183 4WHZ ic50 < 1 nM 3NL C24 H23 Cl N8 O2 c1ccc(c(c1....
184 4W4Y ic50 = 3034 nM 3HQ C24 H22 N6 O2 Cc1ccc(cc1....
185 4W4W ic50 = 6630 nM 3HJ C23 H20 N6 O2 Cc1cc(ccn1....
186 3G90 Ki = 0.44 uM J72 C17 H12 F2 N2 O4 c1cc2c(cc1....
187 1PMV ic50 = 150 nM 537 C14 H8 N2 O c1ccc2c(c1....
188 3GC8 - B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
189 3GC9 - B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
190 4ZSL - 4QZ C17 H17 Cl N6 O C[C@@H](c1....
191 5BYZ ic50 = 0.042 uM 4WE C25 H32 F N7 O Cc1ncc(n1C....
192 4ZSJ ic50 = 2.3 uM 4R0 C13 H17 Cl N6 O Cc1cc(ccc1....
193 4ZSG - 4QX C12 H15 Cl N6 O CC(C)NC(=O....
194 4XP3 - DX4 C5 H5 N5 S c1[nH]c2c(....
195 4O6E ic50 = 1 nM 2SH C21 H25 Cl F N5 O3 c1cc(c(cc1....
196 5NHJ ic50 < 0.0003 uM 8XE C18 H21 N7 O2 Cn1c(ccn1)....
197 4QYY Kd = 0.05 uM 3G7 C25 H29 Cl N4 O4 CC(=O)c1cc....
198 4I5H Ki < 2 nM G17 C26 H21 F3 N4 O Cc1ccc(cc1....
199 4QTE Kd = 0.084 uM 390 C24 H20 Cl2 F N5 O2 Cc1cnc(nc1....
200 4XNE - TT4 C8 H9 N5 c1ccc(cc1)....
201 3QYW - 6PB C11 H8 Br N5 c1cc(cc(c1....
202 5BUE ic50 = 0.003 uM 4V8 C23 H21 N5 O c1ccc(cc1)....
203 2Z7L - S91 C20 H19 N5 O3 Cc1cccc(c1....
204 4ZXT - CAQ C6 H6 O2 c1ccc(c(c1....
205 1WZY ic50 = 0.56 uM F29 C21 H17 N7 C=CCn1c2c(....
206 5NHH ic50 < 0.00113 uM 8XH C19 H25 N5 O3 COCCN1CCc2....
207 4N4S - 2H1 C25 H24 N6 O Cc1cc(cc2c....
208 4QP8 ic50 = 0.28 uM 362 C14 H10 N6 c1cc(cnc1)....
209 4QP4 - 36O C11 H15 N5 c1[nH]c2c(....
210 4QP9 ic50 = 0.071 uM 35X C17 H16 N6 CCCn1cc(cn....
211 5BVE ic50 = 0.01 nM 4VG C25 H28 Cl N5 O3 c1cc(cc(c1....
212 5KE0 - 6S9 C20 H18 N6 O Cc1cc(ccn1....
213 4XOY - DX4 C5 H5 N5 S c1[nH]c2c(....
214 3QYZ - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
215 5BVF ic50 = 0.19 nM 4VJ C25 H28 Cl N5 O3 c1cc(cc(c1....
216 4XOZ - 620 C15 H16 N6 O c1ccc(cc1)....
217 5HD7 - 38Z C33 H33 N9 O2 c1cnc(nc1)....
218 4XRJ - 620 C15 H16 N6 O c1ccc(cc1)....
219 2OJJ Ki = 0.002 uM 82A C22 H17 Cl2 F N4 O2 c1cc(cc(c1....
220 4QTA Kd = 0.013 uM 38Z C33 H33 N9 O2 c1cnc(nc1)....
221 5NHO ic50 < 0.0003 uM 8XN C20 H25 N7 O2 Cc1cnc(nc1....
222 2OJG Ki = 2.3 uM 19A C16 H16 N4 O CN(C)C(=O)....
223 4XP0 - 42A C8 H5 N3 c1cc2c(c[n....
224 4QP2 Kd = 940 uM 36R C7 H5 Cl N2 O c1cc2c(cc1....
225 5NHF ic50 = 0.0012 uM 8X5 C23 H25 N5 O2 c1ccc(cc1)....
226 5BUJ ic50 = 0.005 uM 4VB C16 H15 N5 O c1cnccc1c2....
227 5BUI ic50 = 0.089 uM 4V9 C17 H15 F N4 c1ccnc(c1)....
228 4QP7 ic50 = 5.9 uM 363 C9 H7 N5 c1c[nH]c2c....
229 3ERK ic50 = 18 uM SB4 C18 H19 F N6 c1cc(ccc1c....
230 5V60 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
231 1TVO Ki = 0.14 uM FRZ C18 H13 N7 c1ccc(cc1)....
232 5BVD ic50 = 0.16 nM 4VF C24 H26 Cl N5 O3 c1cc(cc(c1....
233 4ZZN ic50 = 0.26 uM CQ8 C18 H21 Cl N4 O2 CNC(=O)c1c....
234 3SA0 - NRA C13 H8 O6 c1c(cc2c(c....
235 4ERK ic50 = 27 uM OLO C15 H18 N6 O Cn1cnc2c1n....
236 5U6I - 81Y C19 H22 N4 O2 CC(C)Oc1cc....
237 5NHV ic50 = 0.0028 uM 8QB C16 H19 N5 O2 c1cnc(nc1c....
238 3I5Z Ki = 2 nM Z48 C24 H23 N5 O2 Cc1cnc(nc1....
239 4N0S - DHC C9 H8 O4 c1cc(c(cc1....
240 5NHP ic50 = 0.023 uM 8XK C19 H23 N7 O2 Cn1c(ccn1)....
241 3I60 Ki < 2 nM E86 C24 H22 Cl N5 O2 Cc1cnc(nc1....
242 4XP2 - TT4 C8 H9 N5 c1ccc(cc1)....
243 1PME Ki = 0.76 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
244 5NHL ic50 < 0.0003 uM 8XB C20 H25 N7 O2 Cc1cnc(nc1....
245 5HD4 - 38Z C33 H33 N9 O2 c1cnc(nc1)....
246 5K4I ic50 = 3.1 nM 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
247 2F9G - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
248 2B9F - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
249 5AWM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
250 4EYM - 0RX C21 H20 N4 O3 c1cc(ccc1N....
251 5EKO ic50 = 15785 nM N17 C22 H18 N4 O2 Cc1cn(cn1)....
252 4EYJ - N61 C20 H23 N5 O2 CC(C)(C)c1....
253 1CM8 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
254 4QTB Kd = 0.084 uM 38Z C33 H33 N9 O2 c1cnc(nc1)....
255 2ZOQ ic50 = 0.9 uM 5ID C11 H13 I N4 O4 c1c(c2c(nc....
256 3NPC - B96 C31 H37 N5 O3 Cc1ccc(cc1....
257 3E7O ic50 = 120 nM 35F C20 H14 N6 O2 c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0ON; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 0ON 1 1
2 NCA 0.428571 0.769231
3 33N 0.423729 0.6875
4 68B 0.411765 0.827586
5 LZ5 0.403846 0.638889
Ligand no: 2; Ligand: IRG; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 IRG 1 1
2 8OH 0.540541 0.682927
3 8OW 0.527027 0.7
4 8OT 0.52 0.756098
5 BW1 0.5 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OUK; Ligand: 084; Similar sites found: 351
This union binding pocket(no: 1) in the query (biounit: 1ouk.bio1) has 90 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1J3R 6PG 0.02545 0.44578 1.05263
2 5E89 TD2 0.01942 0.44184 1.43885
3 3AQT RCO 0.03205 0.45195 1.63265
4 4GYI ADP 0.002481 0.49844 1.63934
5 5UGW GSH 0.007935 0.47312 1.71429
6 2MSB NAG BMA MAN MAN MAN MAN MAN 0.0461 0.43357 1.73913
7 1J49 NAD 0.02715 0.40697 1.8018
8 3PDT ADP 0.0006203 0.52659 1.81818
9 3WVR AMP 0.008652 0.46438 1.91257
10 3ORQ ADP 0.008197 0.45175 1.91257
11 1VRP ADP 0.03485 0.43122 1.91257
12 5EQY 5RA 0.007672 0.4032 1.91257
13 1WS1 BB2 0.02825 0.43308 1.92308
14 5DKK FMN 0.02176 0.43023 2.06897
15 4XMF HSM 0.02393 0.41026 2.17391
16 3DNT ATP 0.005086 0.45285 2.18579
17 5KR7 6X9 0.0234 0.44787 2.18579
18 4F97 GDP 0.04135 0.43366 2.18579
19 4OUC 5ID 0.0001449 0.56086 2.2409
20 3W0O ADP 0.004646 0.44123 2.29226
21 3W0O HY0 0.004646 0.44123 2.29226
22 2I6A 5I5 0.04143 0.41345 2.31884
23 5W2I ADP 0.02019 0.424 2.33463
24 5W2I I3P 0.02019 0.424 2.33463
25 3ZJX BOG 0.005255 0.49663 2.42215
26 2AQX ATP 0.03744 0.41567 2.42215
27 4IPH 1FJ 0.02845 0.41447 2.43902
28 2ORO 228 0.02991 0.43173 2.45902
29 3T1A 5MA 0.02982 0.42596 2.45902
30 1IA9 ANP 0.0001832 0.53973 2.5
31 2OG2 MLI 0.02003 0.44407 2.50696
32 5M42 FMN 0.0445 0.42237 2.50896
33 5KY9 GDP 0.02429 0.43986 2.53521
34 4C5N ACP 0.01122 0.43372 2.53623
35 4RDL FUC GAL NDG FUC 0.005853 0.49319 2.5974
36 3KYG 5GP 5GP 0.002383 0.49054 2.64317
37 2G30 ALA ALA PHE 0.00009697 0.56746 2.71318
38 5I35 ANP 0.00001965 0.60148 2.73224
39 2VQD AP2 0.005466 0.46065 2.73224
40 3K5I ADP 0.03667 0.41864 2.73224
41 2V58 LZJ 0.01003 0.40201 2.73224
42 1Q6O LG6 0.04455 0.42235 2.77778
43 4O4F ATP 0.007241 0.44272 2.82258
44 4O4F IHP 0.008825 0.43606 2.82258
45 2XG5 EC2 0.002173 0.50765 2.89017
46 2XG5 EC5 0.002173 0.50765 2.89017
47 1I7L ATP 0.002502 0.46764 2.91262
48 5C1P ADP 0.00476 0.48274 2.94118
49 5C1P DAL DAL 0.02619 0.41619 2.94118
50 1IOW ADP 0.0257 0.40058 2.94118
51 1IOW PHY 0.0257 0.40058 2.94118
52 2HJ4 PNZ 0.03286 0.41608 2.96296
53 3B9Q MLI 0.03345 0.44404 2.98013
54 2Q8E OGA 0.02294 0.45656 3.125
55 4DSU BZI 0.008405 0.48684 3.1746
56 3RGA LSB 0.01776 0.44393 3.18021
57 4ZS4 ATP 0.0001586 0.54295 3.25733
58 3E7S AT2 0.01246 0.47924 3.27869
59 5UC9 MYR 0.01447 0.47106 3.53982
60 2PUL ACP 0.0002231 0.54532 3.55191
61 1EHI ADP 0.01949 0.43555 3.55191
62 3EXS 5RP 0.04693 0.42718 3.61991
63 3OF1 CMP 0.01589 0.45746 3.65854
64 3EUF BAU 0.02381 0.44034 3.65854
65 2Z9I GLY ALA THR VAL 0.0226 0.45466 3.7037
66 5F6U 5VK 0.04689 0.41309 3.82166
67 4WOE ADP 0.001326 0.53382 3.82514
68 4CJN QNZ 0.03785 0.44362 3.82514
69 4DXD 9PC 0.04332 0.41492 3.82514
70 4V3I ASP LEU THR ARG PRO 0.02985 0.45272 3.89105
71 1TZD ADP 0.01401 0.45641 4
72 4DFU QUE 0.04059 0.43772 4.03727
73 3VOT ADP 0.001315 0.51885 4.09836
74 4PU5 ANP 0.01482 0.43312 4.09836
75 2YW2 ATP 0.01938 0.4328 4.09836
76 1W2D ADP 0.006352 0.48011 4.15094
77 1W2D 4IP 0.03778 0.40644 4.15094
78 5DCH 1YO 0.04394 0.44169 4.16667
79 4R38 RBF 0.009709 0.44803 4.28571
80 3TAY MN0 0.02086 0.41635 4.29448
81 3OCP CMP 0.02326 0.44802 4.31655
82 4XYM A12 0.01789 0.43748 4.34783
83 4PAB THG 0.0449 0.41935 4.37158
84 1FWV SGA MAG FUC 0.01962 0.4673 4.47761
85 2PR5 FMN 0.009978 0.45057 4.54545
86 1I1E DM2 0.04003 0.44193 4.64481
87 3TPV ADE 0.02942 0.42627 4.64481
88 5DXT 5H5 0.04896 0.4147 4.64481
89 5DMZ ADP 0.0001982 0.54289 4.65753
90 2W5P CL8 0.003521 0.51105 4.69799
91 4BQY FNT 0.03079 0.42253 4.7619
92 1PK8 ATP 0.001067 0.482 4.91803
93 2VWA PTY 0.02809 0.45325 4.9505
94 1M2Z BOG 0.01444 0.48279 5.05837
95 2GQS C2R 0.01788 0.44716 5.06329
96 3T4L ZEA 0.004488 0.47206 5.18518
97 1MJT ITU 0.02025 0.44033 5.18732
98 5USZ SKE 0.0005933 0.48725 5.19031
99 3Q60 ATP 0.0003482 0.53502 5.19126
100 5MRH Q9Z 0.002356 0.50966 5.19126
101 3JU6 ANP 0.004852 0.49659 5.19126
102 4DR9 BB2 0.04278 0.42331 5.20833
103 1OBD ATP 0.01174 0.46094 5.22876
104 2XZ9 PYR 0.0392 0.44262 5.24691
105 4Q9M 2ZW 0.03775 0.418 5.28455
106 4X9X OLA 0.04409 0.40326 5.35117
107 1ZP9 ATP 0.0004757 0.53285 5.42636
108 3RE4 TO1 0.0009514 0.52681 5.42636
109 2PYW ADP 0.001504 0.48894 5.46448
110 4NOS ITU 0.04713 0.43389 5.46448
111 5OCA 9QZ 0.02856 0.46981 5.55556
112 1F52 ADP 0.01748 0.45129 5.7377
113 2X6T NAP 0.027 0.40514 5.88235
114 4YVN EBS 0.0009352 0.54051 6.01093
115 4AZT LY2 0.003799 0.49277 6.01093
116 4UWH JXM 0.01434 0.4524 6.01093
117 1XMY ROL 0.04444 0.4354 6.01093
118 3X01 AMP 0.008351 0.48259 6.36132
119 2YKL NLD 0.01994 0.44809 6.48148
120 3TDV GDP 0.0002221 0.54031 6.53595
121 4OCV ANP 0.002685 0.4799 6.55738
122 3B6R ADP 0.00936 0.45883 6.55738
123 5D48 L96 0.02496 0.41492 6.57895
124 3VPB ADP 0.001484 0.47524 6.73759
125 3VPC ADP 0.003023 0.47018 6.73759
126 5V4R MGT 0.0156 0.46783 6.79012
127 4OAV ACP 0.00004669 0.58147 6.8306
128 3TM0 ANP 0.02509 0.40465 6.84411
129 3TM0 B31 0.02677 0.4016 6.84411
130 4IAW LIZ 0.03963 0.43473 6.91489
131 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 0.03719 0.40889 6.91489
132 5KJW 53C 0.01012 0.47686 7.10383
133 4K55 H6P 0.001486 0.52841 7.25806
134 5DQ8 FLF 0.002972 0.4473 7.5
135 4BG4 ADP 0.005607 0.467 7.58427
136 3I0O ADP 0.0003442 0.55178 7.66962
137 4Y24 TD2 0.00254 0.50267 7.79221
138 4O9S 2RY 0.03302 0.4092 7.90698
139 4U98 ACP 0.0006595 0.52025 7.9235
140 1PJ6 FOL 0.03941 0.41704 7.9235
141 5D9G GLU ASN LEU TYR PHE GLN 0.005638 0.48773 8.13008
142 1LNM DTX 0.02 0.4321 8.15217
143 1TQP ATP 0.00007357 0.54106 8.15603
144 4R78 AMP 0.005718 0.48737 8.19672
145 5LXT ACP 0.02151 0.42517 8.46994
146 4ZGP ADP 0.04164 0.42394 8.87372
147 1DZK PRZ 0.0409 0.42738 8.9172
148 5VZ0 ADP 0.003412 0.48223 9.01639
149 4RYV ZEA 0.006589 0.47921 9.03226
150 4LRJ ANP 0.00009422 0.56524 9.46746
151 5NCY 8TK 0.002609 0.45238 9.56284
152 4Q5H ANP 0.000257 0.53699 9.61539
153 3HAV ATP 0.007336 0.4398 9.699
154 5H4I 7HQ 0.03229 0.45852 10.1124
155 4ANW O92 0.0004489 0.48028 11.2022
156 2RH1 CAU 0.04378 0.41994 11.2022
157 2BKK ADP 0.00144 0.51154 11.2426
158 5C03 AGS 0.00009831 0.5588 11.4035
159 2VDF OCT 0.004889 0.43182 11.4625
160 1NCQ W11 0.03331 0.42346 11.7647
161 3E2M E2M 0.03807 0.4084 11.8919
162 1S17 GNR 0.04611 0.41606 12.2222
163 4WOV 3SM 0.001378 0.51259 12.3028
164 4AGQ P96 0.0278 0.42754 12.7854
165 1GT4 UNA 0.004019 0.47843 13.8365
166 1GEG GLC 0.01695 0.44151 14.8438
167 4FL3 ANP 0.000006767 0.60147 15.0273
168 5M06 ADP 0.00007205 0.57734 15.2174
169 3AKK ADP 0.004671 0.46754 15.3846
170 5CKW ANP 0.001006 0.52545 15.5738
171 2PZI AXX 0.0001665 0.56343 15.847
172 3H0L ADP 0.009339 0.47501 15.9574
173 2GC0 PAN 0.006439 0.46385 16.4894
174 5KEW 6SB 0.01489 0.46906 17.0213
175 3VHE 42Q 0.00000005844 0.65882 17.8273
176 3LQV ADE 0.03876 0.44301 17.9487
177 1G27 BB1 0.03597 0.42172 19.0476
178 4F4P 0SB 0.0000003515 0.41423 20.1465
179 3KMW ATP 0.00006647 0.57331 20.6642
180 3PNA CMP 0.005731 0.48731 20.7792
181 4XH0 ADP 0.000003426 0.68697 21.3115
182 5VC5 96M 0.0000007924 0.61869 21.4533
183 4Y0X ADP 0.00003619 0.59357 23.2
184 5W4W 9WG 0.0000001082 0.64157 23.565
185 4KBA 1QM 0.000003169 0.59117 23.565
186 5N1X 8HH 0.01707 0.43358 24.7934
187 5T8O 76Z 0.00003712 0.56996 25.5014
188 4E93 GUI 0.0002158 0.494 25.6831
189 3PP0 03Q 0.00000125 0.61485 25.7396
190 1N5S ADL 0.02398 0.43692 25.8929
191 4L9I 8PR 0.00008181 0.56851 25.9563
192 4BKJ STI 0.0000003176 0.64832 26.0317
193 4IDT T28 0.000122 0.55926 26.1236
194 4P5Z Q7M 0.000000001182 0.69173 26.3158
195 3V8S 0HD 0.000006952 0.6255 26.5027
196 4WNK 453 0.00009329 0.51662 26.5027
197 4Y8D 49J 0.000000533 0.67715 26.7647
198 3C1X CKK 0.00000002861 0.71906 27.0492
199 2QLU ADE 0.001276 0.52153 27.0701
200 5MWE TCE 0.01726 0.46384 27.1429
201 3HMO STU 0.0000006067 0.68187 27.4854
202 4Y93 746 0.00004049 0.54902 27.5956
203 5HCY 60D 0.0000000207 0.61906 28.0967
204 3H9R TAK 0.00001418 0.63803 28.1818
205 4EUU BX7 0.0003433 0.50161 28.2132
206 5KMJ 6UF 0.00007277 0.54129 28.2675
207 4CLI 5P8 0.00000002285 0.41176 28.7462
208 5VCV 1N1 0.0000002928 0.65607 28.9389
209 3UIM ANP 0.00001891 0.59619 29.1411
210 5JGA 6KC 0.00000002588 0.66318 29.2063
211 5LPZ ADP 0.000001878 0.64858 29.2169
212 2HY0 306 0.0001238 0.57057 29.5031
213 5U6C 7YS 0.000001444 0.6347 29.5238
214 4OTH DRN 0.00000163 0.6321 29.6188
215 3E8N ATP 0.000009497 0.51526 29.6188
216 3E8N VRA 0.000009497 0.51526 29.6188
217 5N87 N66 0.000001017 0.58141 29.7125
218 1XJD STU 0.0000791 0.55844 29.8551
219 4YMJ 4EJ 0.000006702 0.67074 29.9342
220 2OO8 RAJ 0.0000001493 0.68352 29.9685
221 4X7Q 3YR 0.0001457 0.54986 30.1282
222 5JFS 6K0 0.00000001466 0.40266 30.1948
223 2XVD AS6 0.00000002408 0.68189 30.4636
224 5KO1 6UY 0.000007028 0.62524 30.7421
225 1JPA ANP 0.000004464 0.66023 30.7692
226 4AT3 LTI 0.0000001111 0.64643 30.7692
227 3LXN MI1 0.00001392 0.59142 30.8176
228 4WB7 ATP 0.002263 0.44276 30.8743
229 5EOB 5QQ 0.00000004282 0.42417 31.0345
230 1OPK P16 0.0000001255 0.63875 31.1475
231 3ORK AGS 0.000143 0.52317 31.1897
232 5NKB 8ZT 0.000000003024 0.66016 31.3725
233 3PVW QRX 0.00005176 0.53977 31.4208
234 1K3A ACP 0.000002662 0.6629 31.4381
235 4OH4 ANP 0.00004025 0.57905 31.5315
236 2Y6O 1N1 0.00000002424 0.72262 31.6151
237 5HVJ ANP 0.0001554 0.58476 31.746
238 5HX8 66P 0.00007009 0.53365 31.7881
239 3EKK GS2 0.000001487 0.57057 31.9218
240 4Y85 499 0.006182 0.46846 31.9277
241 1Y57 MPZ 0.000001803 0.62397 31.9672
242 2H8H H8H 0.000008904 0.61328 31.9672
243 3VRY B43 0.000004403 0.59447 31.9672
244 3IDB ANP 0.000268 0.51816 32
245 4BHN BH9 0.0005687 0.51022 32.3353
246 4GJ3 0XP 0.00005135 0.52446 32.4503
247 3PLS ANP 0.0000005228 0.68531 32.5503
248 4WB6 ATP 0.00008816 0.52903 32.5714
249 4D2S DYK 0.00008345 0.58005 32.7465
250 3MVH WFE 0.000007964 0.56406 32.7485
251 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0000296 0.4724 32.7485
252 2JDR L20 0.0000296 0.4724 32.7485
253 3KRL KRL 0.00006208 0.5538 32.8358
254 4ASE AV9 0.0000001534 0.65131 32.8612
255 3GGF GVD 0.0003015 0.5436 32.8904
256 4N70 2HX 0.00001004 0.50588 32.9268
257 4E1Z 0MX 0.00002988 0.56457 32.9897
258 2R5T ANP 0.00003969 0.56342 33.0601
259 1U59 STU 0.00003031 0.58549 33.101
260 5LPB ADP 0.00001806 0.62418 33.1081
261 2WQN ADP 0.000004219 0.65183 33.2258
262 4M69 ANP 0.000004618 0.61557 33.2268
263 2GU8 796 0.000003955 0.50412 33.2344
264 5TO8 7FM 0.00000002461 0.63385 33.3333
265 4G31 0WH 0.00001066 0.54652 33.4448
266 4YZN 4K5 0.00001067 0.58635 33.4495
267 3CY2 MB9 0.000007617 0.59348 33.758
268 3KRR DQX 0.00000002666 0.44542 33.8983
269 3LXK MI1 0.00001433 0.5612 33.945
270 3GNI ATP 0.00003224 0.57304 34.153
271 4U0I 0LI 0.0000002951 0.6225 34.2857
272 4NFN 2KC 0.000001634 0.65897 34.3042
273 2PVF ACP 0.00001349 0.61017 34.7305
274 3FHR P4O 0.0002336 0.53432 34.8214
275 4RFM 3P6 0.00008481 0.4724 34.9624
276 4YZC STU 0.00000001387 0.40173 34.9727
277 1VJY 460 0.0000006478 0.60284 34.9835
278 2A19 ANP 0.0000003019 0.72466 35.2113
279 1BYG STU 0.00002145 0.6059 35.2518
280 3SXS PP2 0.000002015 0.63372 35.4478
281 4I6H 1C8 0.000007989 0.61574 35.7143
282 5AX9 4KT 0.0001243 0.55347 35.7143
283 1U5R ATP 0.00004987 0.57419 35.9195
284 4ITH RCM 0.000007539 0.59915 36.0544
285 2RIO ADP 0.00008386 0.56793 36.0656
286 3GQI ACP 0.00002118 0.59362 36.1963
287 3BZ3 YAM 0.000001066 0.52335 36.2319
288 4C2V YJA 0.0001884 0.50307 36.4912
289 4AG8 AXI 0.0000003072 0.60293 36.7089
290 5TA6 79D 0.000001355 0.60803 36.8715
291 2YAB AMP 0.0000421 0.57249 37.1191
292 4JR7 GNP 0.0001393 0.5509 37.1585
293 5EYK 5U5 0.00006002 0.53276 37.3188
294 4TWP AXI 0.000000005313 0.63699 37.6384
295 4EWH T77 0.00001202 0.56468 37.8182
296 2ZV2 609 0.00007689 0.5886 37.9195
297 5UR1 YY9 0.00000000582 0.42016 37.9421
298 3C0G 3AM 0.00003484 0.60106 38.1766
299 3SLS ANP 0.00003395 0.56678 38.4868
300 3SLS 77D 0.0477 0.42367 38.4868
301 3HZT J60 0.00007016 0.59085 38.7978
302 2WU6 DKI 0.0000001214 0.68105 39.071
303 5UOX 8GY 0.00008512 0.54701 39.1144
304 3ALN ANP 0.00002866 0.57562 39.1437
305 4JDI ANP 0.0000205 0.58296 39.3064
306 3IGO ANP 0.0000001555 0.68264 39.3443
307 3SXF BK5 0.000001684 0.57642 39.3443
308 2OFV 242 0.00000019 0.61158 39.3502
309 4XLI 1N1 0.000001721 0.65777 39.5522
310 3G5D 1N1 0.000000005606 0.44516 40.5594
311 4A4X JUP 0.000001418 0.6123 40.8602
312 4BFM ANP 0.000001391 0.64183 41.018
313 5L8L ADP 0.00004397 0.60232 41.0526
314 5G1X ADP 0.001029 0.50997 41.0526
315 2Z7R STU 0.000002862 0.61999 41.1215
316 5IH9 6BF 0.000000003317 0.40459 41.194
317 5LXM ADP 0.000419 0.53074 41.3428
318 3QCQ 3Q0 0.000001172 0.46553 41.3462
319 2VZ6 FEF 0.0003689 0.5443 41.5335
320 5MY8 RXZ 0.000008535 0.58091 41.8033
321 5H2U 1N1 0.0000009492 0.66406 42.3221
322 4CSV STI 0.0000004545 0.65311 42.5455
323 2F57 23D 0.00005647 0.58308 42.5868
324 5DA3 58V 0.000009866 0.63903 42.6415
325 5EW9 5VC 0.00002062 0.41429 42.8044
326 4CQE CQE 0.0000002213 0.67505 42.8058
327 4QMN DB8 0.00000001287 0.65999 42.9032
328 5LI1 ANP 0.00003512 0.56605 42.9379
329 4NST ADP 0.00000268 0.64051 43.3048
330 4NST AF3 0.000001609 0.55876 43.3048
331 4NW6 2NS 0.00003219 0.52966 43.3437
332 5LI9 ACP 0.00002269 0.58625 43.4286
333 5X8I SQZ 0.0000006156 0.67388 43.6416
334 3E5A VX6 0.000721 0.49003 43.6567
335 4FG8 ATP 0.00002986 0.57472 43.8095
336 5DRB 5FJ 0.000009645 0.51211 43.9863
337 5DEY 59T 0.000000003646 0.61412 44.1077
338 4CRL C1I 0.000000003105 0.69695 44.5355
339 4NM5 ADP 0.00000002654 0.7132 45.3581
340 4KS7 X4Z 0.0000005553 0.64888 45.5479
341 4WNP 3RJ 0.00003697 0.59963 45.993
342 5EFQ ADP 0.000004077 0.631 46.1095
343 3DAK ANP 0.0000008715 0.6814 46.5517
344 2X4Z X4Z 0.0000006175 0.5947 46.6216
345 2JLD AG1 0.00000005249 0.6447 46.7213
346 5DH3 5BS 0.004229 0.46628 46.9841
347 3GC0 AMP 0.00006384 0.58649 47.7204
348 5JZJ AN2 0.00001327 0.61056 47.8114
349 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.03565 0.43393 48.1481
350 2PVN P63 0.000007005 0.5709 49.1477
351 2WEI VGG 0.00000184 0.66379 49.4774
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