Receptor
PDB id Resolution Class Description Source Keywords
3uvp 2.4 Å EC: 2.7.11.24 HUMAN P38 MAP KINASE IN COMPLEX WITH KM048 HOMO SAPIENS PROTEIN KINASE SELECTIVE P38 INHIBITOR SAR BENZOSUBERON DERIVATIVE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: TARGETING THE HINGE GLYCINE FLIP AND THE ACTIVATION NOVEL APPROACH TO POTENT P38ALPHA INHIBITORS. J.MED.CHEM. V. 55 7862 2012
Ligand Information
Ligand Validity Binding Data Ligand Warnings Chemaxon Viewer Molecular Weight (Da) Formula SMILES
048 Valid ic50 = 0.035 uM none 388.434
C24 H21 F N2 O2
c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCCCC4=O
BOG Valid submit data none 292.369
C14 H28 O6
CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
90% Homology Family

The Class containing this family consists of a total of 10 families.

Leader:    1OUK     THE STRUCTURE OF P38 ALPHA IN COMPLEX WITH A PYRIDINYLIMIDAZOLE INHIBITOR
No: PDB id Binding Data Representative ligand
1 3GCV Kd = 74 nM SS6
2 3L8S Kd = 99 nM BFF
3 3MPT ic50 = 0.25 uM 1GK
4 1BL6 - SB6
5 3NNW ic50 = 9 nM EDD
6 3GI3 Kd < 1.8 nM B10
7 3K3J - I46
8 3HEC ic50 = 70 uM STI
9 1IAN - D13
10 3FC1 - 52P
11 3RIN ic50 = 1.3 nM I2O
12 3MVM ic50 = 13 nM 39P
13 3NNU ic50 = 48 nM EDB
14 1W7H ic50 = 1 mM 3IP
15 3U8W ic50 = 1 nM 09J
16 1WBS ic50 = 0.63 uM LI2
17 2GHM - LIC
18 4E6C Kd ~ 15 uM 0O8
19 1W84 ic50 = 35 uM L12
20 4EH5 - IRG
21 2BAK Kd = 37 nM AQZ
22 3HV6 ic50 = 5500 nM R39
23 1WBV ic50 = 162 uM LI3
24 4EH2 - IRG
25 3HP2 - I46
26 3HA8 - 5JZ
27 3HEG ic50 = 0.057 uM BAX
28 2ZAZ Ki = 0.4 uM GK1
29 1WBO ic50 = 1 mM 2CH
30 3HP5 - I46
31 3P78 ic50 = 0.11 uM P78
32 4EH9 - IRG
33 1YWR ic50 = 32 nM LI9
34 3IW5 Kd = 0.839 uM DF3
35 3GC7 ic50 = 0.4 nM B45
36 4EH6 - IRG
37 3HV3 ic50 = 900 nM R49
38 2ZB0 Ki = 0.24 uM GK3
39 4A9Y - RNY
40 2GTM ic50 = 542 nM LID
41 3GCU - R48
42 2YIX Kd = 3.3 nM YIX
43 1OUY ic50 = 4.3 nM 094
44 3D7Z Ki = 12 nM GK5
45 3OCG ic50 = 3 nM OCG
46 1BL7 - SB4
47 2YIS - I46
48 1OUK ic50 = 0.13 nM 084
49 3BV2 Ki = 0.44 nM P38
50 3P7C ic50 = 0.022 uM P7C
51 4E6A - 0O9
52 1WBN ic50 = 0.35 uM L09
53 2EWA - SB2
54 2QD9 ic50 = 13 nM LGF
55 3HUC Kd = 1030 nM G97
56 2GHL - LIB
57 1ZZ2 ic50 = 6 uM B11
58 3HL7 Ki = 0.023 uM I47
59 4EHV - IRG
60 3ZSI - 52P
61 2YIW - I46
62 2GTN ic50 = 4 nM LIE
63 3HRB ic50 = 21 nM I39
64 3BX5 ic50 = 1.5 nM 304
65 1A9U - SB2
66 3HVC ic50 = 600 nM GG5
67 2GFS ic50 = 0.7 uM PQB
68 1M7Q ic50 = 2.6 nM DQO
69 2NPQ Kd = 3.08 uM BOG
70 3IW6 Kd = 3.29 uM PP0
71 3S4Q ic50 = 4 nM NK0
72 2BAJ Kd = 4 nM 1PP
73 4EH7 - IRG
74 1YQJ ic50 = 7.3 nM 6NP
75 4EH3 - IRG
76 3ROC - 29B
77 4AA5 ic50 = 6.7 nM NQB
78 1OVE ic50 = 0.74 nM 358
79 3UVP ic50 = 0.035 uM 048
80 3NWW ic50 = 7 nM 3NW
81 1W83 ic50 = 0.065 uM L11
82 3ZSH - 469
83 3IPH Ki = 2.51e-05 mM G11
84 3P7B ic50 = 0.018 uM P7B
85 3NNV ic50 = 27 nM 437
86 3GCQ Kd = 342 nM 1BU
87 3CTQ ic50 = 40 nM 337
88 3IW7 - IPK
89 3ITZ ic50 = 1.4 nM P66
90 2ZB1 Ki = 0.48 uM GK4
91 2BAL Kd = 490 nM PQA
92 3HUB Kd = 8.2 nM 469
93 3P5K ic50 = 0.076 uM P5K
94 3HV5 ic50 = 150 nM R24
95 1WBW ic50 = 44 uM LI4
96 2I0H ic50 = 9 nM 222
97 3P79 ic50 = 2.3 uM P79
98 3HV7 ic50 = 90 nM 1AU
99 1ZYJ ic50 = 1.5 uM BI5
100 3K3I - I46
101 1WBT ic50 = 0.34 uM WBT
102 1BMK - SB5
103 3E92 Ki = 10 nM G6A
104 3P7A ic50 = 0.52 uM P7A
105 3GFE ic50 = 3.2 nM P37
106 3ZYA - 2A8
107 2RG5 ic50 = 3.1 nM 279
108 3NNX ic50 = 11 nM EDD
109 3L8X ic50 = 10 nM N4D
110 4EH4 - IRG
111 1KV1 Kd = 1.16 uM BMU
112 3KF7 ic50 = 40 nM L9G
113 3GCS Kd = 56 nM BAX
114 4AA4 ic50 = 9 nM QC0
115 3ZS5 - SB2
116 3D83 Ki = 4.4 nM GK6
117 1YW2 ic50 = 141 nM PGJ
118 1W82 ic50 = 196 nM L10
119 3ZSG - T75
120 4EH8 - IRG
121 3GCP Kd = 15 nM SB2
122 3E93 Ki = 1.4 nM 19B
123 4AAC ic50 = 16 nM AAV
124 3HLL Ki = 0.0058 uM I45
125 1ZZL ic50 = 5 nM TZY
126 4AA0 ic50 = 35 nM AA0
127 2RG6 ic50 = 2.2 nM 287
128 1OZ1 ic50 = 6.5 nM FPH
129 3IW8 Kd = 13.4 uM HIZ
More Information
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