Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
BDB (Jul 2014)

Download : Data.csv | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




Query Sequence
Filter:
Significants
SA found
Seq Ident. 3D Core
(QMean Score)
Classification code

Binding Site Ligands Found
(Procognate)
Profile Complexes by comparative docking
(ligands from PDB templates)

Targets
for screening
Screening
(Multi Mol2 user file : ALL)




Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number] Nb
R (BestAtome)
100PF12474_SLK_HUMAN14 98% 0.114 PF00069 C1_S116 - (0)14 2 / 7 / 5 10--
101PF00069_CDPK1_PLAF718 93% 0.485 PF00069 C1_S124 - (6)16 - / 11 / 10 15 20 -0.02
102PF12474_STK10_HUMAN15 100% 0.163 PF00069 C1_S115 - (0)15 2 / 8 / 5 11--
103PF00069_CDPK4_PLAF728 77% 0.479 PF00069 C1_S141 - (9)20 1 / 17 / 12 18--
104PF00069_MAST1_HUMAN13 61% 0.106 PF00069 C1_S129 - (5)14 - / 5 / 11 14 8 0.34
105PF00069_IRAK4_HUMAN13 100% 0.304 PF00069 C2_S133 - (10)18 3 / 11 / 10 11 20 0.26
106PF00069_DMPK_HUMAN18 100% 0.334 PF00069 C1_S142 - (7)19 - / 5 / 16 12 21 0.07
107PF00069_MINK1_HUMAN13 89% 0.118 PF00069 C1_S118 - (0)12 - / 4 / 7 9--
108PF00069_TNIK_HUMAN13 100% 0.115 PF00069 C1_S118 - (0)12 - / 4 / 7 9 18 -0.02
109PF00069_M4K4_HUMAN13 91% 0.126 PF00069 C1_S121 - (0)12 - / 4 / 7 9 8 0.30
110PF00069_MKNK2_HUMAN16 100% 0.307 PF00069 C1_S140 - (1)16 - / 4 / 5 8 12 0.08
111PF00069_M3K15_HUMAN14 83% 0.101 PF00069 C1_S146 - (6)17 4 / 7 / 6 10 6 0.80
112PF00069_MYLK_CHICK6 52% 0.113 PF00069 C2_S19 - (0)8 - / 2 / 4 6 3 1.00
113PF00069_PMYT1_HUMAN7 100% 0.313 PF00069 C1_S128 - (7)11 - / 5 / 4 8 2 1.00
114PF00069_TTK_HUMAN7 100% 0.178 PF00069 C1_S135 - (10)10 1 / 4 / 7 7 15 -0.13
115PF00069_MAST3_HUMAN18 88% 0.129 PF00069 C1_S143 - (5)18 - / 6 / 14 15--
116PF00069_KGP1_BOVIN21 45% 0.252 PF00069 C2_S147 - (6)20 - / 22 / 13 19--
117PF00069_MK07_HUMAN14 100% 0.250 PF00069 C1_S120 - (7)12 - / 7 / 7 8 7 0.12
118PF00069_M3K6_HUMAN12 75% 0.097 PF00069 C1_S135 - (6)15 2 / 7 / 6 11 4 0.79
119PF00069_WEE2_HUMAN9 63% 0.215 PF00069 C1_S133 - (11)10 1 / 3 / 5 6 4 0.87
120PF00069_M3K5_HUMAN17 100% 0.128 PF00069 C1_S143 - (9)19 4 / 8 / 8 12 6 0.22
121PF00069_KGP1_HUMAN21 45% 0.242 PF00069 C2_S153 - (7)20 - / 21 / 15 20 4 0.53
122PF00069_TAOK2_HUMAN15 99% 0.139 PF00069 C1_S122 - (6)14 1 / 6 / 7 9 4 0.35
123PF00069_KCC2D_HUMAN13 99% 0.373 PF00069 C1_S117 - (5)8 - / 2 / 10 6 1 -
124PF00069_KCC2G_HUMAN15 99% 0.338 PF00069 C1_S118 - (0)13 - / 6 / 9 8 8 0.30
125PF00069_PAK6_HUMAN24 100% 0.229 PF00069 C1_S167 - (17)18 3 / 14 / 13 10 8 0.51
126PF00069_PAK7_HUMAN24 98% 0.239 PF00069 C1_S155 - (15)18 2 / 14 / 13 11 11 0.35
127PF00069_PAK3_HUMAN18 95% 0.313 PF00069 C1_S143 - (13)16 - / 12 / 13 10 6 0.05
128PF00069_PAK4_HUMAN25 100% 0.390 PF00069 C1_S156 - (15)17 3 / 11 / 18 11 28 0.48
129PF00069_M3K3_HUMAN14 40% 0.174 PF00069 C1_S130 - (7)17 2 / 7 / 6 11 7 -0.09
130PF00069_WEE1_HUMAN8 100% 0.225 PF00069 C1_S136 - (9)14 3 / 4 / 6 10 18 0.09
131PF00069_KCC2B_HUMAN12 99% 0.259 PF00069 C1_S115 - (0)13 - / 2 / 10 7 3 -0.40
132PF00069_KKCC2_HUMAN14 100% 0.198 PF00069 C1_S146 - (9)16 - / 8 / 7 14 8 0.56
133PF00069_E2AK2_HUMAN13 99% 0.228 PF00069 C2_S132 - (11)14 2 / 5 / 9 10 14 0.28
134PF00069_M3K2_HUMAN13 40% 0.241 PF00069 C1_S131 - (9)16 2 / 5 / 7 11 6 0.06
135PF00069_MELK_HUMAN13 99% 0.263 PF00069 C1_S126 - (5)13 - / 7 / 5 10 8 0.27
136PF00069_DCLK1_HUMAN16 46% 0.181 PF00069 C1_S131 - (10)16 - / 2 / 15 10 8 0.43
137PF00069_PAK1_HUMAN18 100% 0.299 PF00069 C1_S139 - (13)16 1 / 9 / 13 10 8 0.07
138PF00069_PAK2_HUMAN19 91% 0.338 PF00069 C1_S145 - (13)17 1 / 10 / 14 12 7 0.39
139PF00069_ST32B_HUMAN13 71% 0.439 PF00069 C1_S154 - (11)14 - / 10 / 6 8 5 -0.03
140PF00069_KC1G1_HUMAN18 89% 0.369 PF00069 C1_S140 - (5)19 - / 13 / 10 15 14 0.12
141PF00069_KPCD2_HUMAN9 37% 0.174 PF00069 C1_S135 - (11)11 1 / 4 / 6 7 1 -
142PF00069_MYLK3_HUMAN16 70% 0.169 PF00069 C1_S128 - (11)15 - / 6 / 9 10 7 -0.25
143PF00069_AUKBA_XENLA30 100% 0.385 PF00069 C1_S153 - (11)20 3 / 20 / 8 20--
144PF00069_DCLK2_HUMAN19 44% 0.181 PF00069 C1_S135 - (11)18 - / 2 / 17 12 2 1.00
145PF00069_KPCD3_HUMAN14 39% 0.157 PF00069 C1_S137 - (12)15 - / 6 / 9 10 7 0.60
146PF00069_PHKG1_HUMAN16 95% 0.543 PF00069 C1_S139 - (16)15 - / 6 / 12 9 11 0.16
147PF00069_KCC4_HUMAN16 100% 0.277 PF00069 C1_S136 - (11)17 - / 7 / 13 11 5 -0.42
148PF00069_STK24_HUMAN19 98% 0.332 PF00069 C1_S140 - (11)20 2 / 10 / 7 14 11 0.40
149PF00069_STK25_HUMAN19 99% 0.349 PF00069 C1_S143 - (12)20 2 / 9 / 9 11 8 0.80
150PF00069_AAPK2_HUMAN12 100% 0.350 PF00069 C1_S123 - (4)12 1 / 10 / - 7 3 0.82

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