Receptor
PDB id Resolution Class Description Source Keywords
1pxo 1.96 Å EC: 2.7.11.22 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2- Y L]-(3-NITRO-PHENYL)-AMINE HOMO SAPIENS PROTEIN KINASE CELL CYCLE PHOSPHORYLATION CELL DIVISION MITOSIS INHIBITION TRANSFERASE SERINE/THREONINE-PROTEIN KINASE ATP-BINDING 3D-STRUCTURE.
Ref.: 2-ANILINO-4-(THIAZOL-5-YL)PYRIMIDINE CDK INHIBITORS: SYNTHESIS, SAR ANALYSIS, X-RAY CRYSTALLOGRAPHY, AND BIOLOGICAL ACTIVITY. J.MED.CHEM. V. 47 1662 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CK7 A:500;
Valid;
Atoms found LESS than expected: % Diff = 0;
Ki = 2 nM
328.349 C14 H12 N6 O2 S Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XMY 1.9 Å EC: 2.7.11.22 DISCOVERY AND CHARACTERISATION OF 2-ANILINO-4-(THIAZOL-5-YL) PYRIMIDINE TRANSCRIPTIONAL CDK INHIBITORS AS ANTICANCER A GENTS HOMO SAPIENS CELL CYCLE TRANSFERASE CDK9 INHIBITOR
Ref.: DISCOVERY AND CHARACTERISATION OF 2-ANILINO-4-( THIAZOL-5-YL)PYRIMIDINE TRANSCRIPTIONAL CDK INHIBIT ANTICANCER AGENTS CHEM.BIOL. V. 17 1111 2010
Members (138)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3PXF Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
2 3TI1 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
3 2R3G ic50 = 800 nM SC9 C18 H14 F N5 c1ccc(c(c1....
4 3PXQ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
5 2R3N ic50 = 70 nM SCZ C21 H19 N5 c1ccc(cc1)....
6 2C69 ic50 = 26 uM CT8 C17 H14 Br N6 c1cc(cc(c1....
7 2VTM ic50 ~ 1 mM LZM C7 H4 N4 c1cnc2c(cn....
8 1H0V - UN4 C10 H12 N6 O2 c1[nH]c2c(....
9 4ERW - STU C28 H26 N4 O3 CC12C(C(CC....
10 4NJ3 Ki = 0.14 uM 2KD C27 H21 Cl N2 O6 COC(=O)C(C....
11 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
12 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
13 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
14 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
15 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
16 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
17 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
18 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1N....
19 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
20 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
21 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
22 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
23 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
24 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
25 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
26 4LYN - 1YG C20 H23 N3 O2 S2 CC(c1ccccc....
27 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
28 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
29 1CKP - PVB C20 H25 Cl N6 O3 CC(C)C(CO)....
30 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
31 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
32 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
33 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
34 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
35 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
36 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
37 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
38 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
39 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
40 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
41 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
42 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
43 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
44 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
45 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)CC(CO....
46 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
47 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S CC(CO)Nc1c....
48 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
49 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
50 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
51 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
52 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
53 1V1K Ki = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)CC(CO....
54 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
55 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
56 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
57 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
58 4EZ7 - STU C28 H26 N4 O3 CC12C(C(CC....
59 3PXZ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
60 1W0X - OLO C15 H18 N6 O Cn1cnc2c1n....
61 2XMY Ki = 0.11 nM CDK C18 H21 N5 O4 S2 CC1=C(SC(=....
62 2UZO ic50 = 18 uM C62 C14 H10 N2 O5 S2 c1cc(ccc1c....
63 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
64 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
65 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
66 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
67 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
68 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
69 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
70 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
71 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
72 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
73 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
74 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
75 2A0C - CK9 C19 H26 N6 O2 CCC(CO)Nc1....
76 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
77 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
78 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
79 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
80 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
81 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
82 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
83 1PXP Ki ~ 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
84 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
85 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
86 1AQ1 - STU C28 H26 N4 O3 CC12C(C(CC....
87 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]N=C1NC(....
88 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
89 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
90 3PJ8 - 404 C19 H26 N6 O CCC(CO)Nc1....
91 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
92 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
93 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
94 1H08 - BYP BWP n/a n/a
95 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
96 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
97 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
98 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
99 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
100 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
101 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
102 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
103 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
104 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
105 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 CC(C(C(C#C....
106 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
107 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
108 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
109 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
110 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CCC(CO)Nc1....
111 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
112 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
113 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
114 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
115 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
116 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
117 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
118 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1N....
119 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
120 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
121 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 CC1CC2CN1C....
122 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
123 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
124 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
125 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
126 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
127 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
128 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
129 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
130 2C5Y ic50 = 0.25 uM MTW C19 H15 N7 O2 c1cc(cc(c1....
131 1PXO Ki = 2 nM CK7 C14 H12 N6 O2 S Cc1c(sc(n1....
132 1H00 ic50 = 38 uM FAP C21 H23 F2 N5 O2 CN(C)CC(CO....
133 2R3R - 6SC C18 H14 Br N5 c1ccc(cc1)....
134 2R3K ic50 = 100 nM SCQ C18 H14 Br N5 c1ccc(cc1)....
135 2V0D - C53 C9 H7 N3 O S [H]N=C1NC(....
136 1B39 Kd = 0.12 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
137 2W1H ic50 = 0.052 uM L0F C17 H13 N5 O c1ccc(cc1)....
138 1Y91 ic50 = 0.059 uM CT9 C23 H33 N7 O2 S CC(C)c1cnn....
70% Homology Family (141)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3PXF Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
2 3TI1 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
3 2R3G ic50 = 800 nM SC9 C18 H14 F N5 c1ccc(c(c1....
4 3PXQ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
5 2R3N ic50 = 70 nM SCZ C21 H19 N5 c1ccc(cc1)....
6 2C69 ic50 = 26 uM CT8 C17 H14 Br N6 c1cc(cc(c1....
7 2VTM ic50 ~ 1 mM LZM C7 H4 N4 c1cnc2c(cn....
8 1H0V - UN4 C10 H12 N6 O2 c1[nH]c2c(....
9 4ERW - STU C28 H26 N4 O3 CC12C(C(CC....
10 4NJ3 Ki = 0.14 uM 2KD C27 H21 Cl N2 O6 COC(=O)C(C....
11 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
12 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
13 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
14 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
15 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
16 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
17 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
18 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1N....
19 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
20 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
21 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
22 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
23 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
24 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
25 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
26 4LYN - 1YG C20 H23 N3 O2 S2 CC(c1ccccc....
27 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
28 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
29 1CKP - PVB C20 H25 Cl N6 O3 CC(C)C(CO)....
30 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
31 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
32 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
33 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
34 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
35 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
36 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
37 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
38 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
39 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
40 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
41 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
42 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
43 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
44 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
45 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)CC(CO....
46 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
47 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S CC(CO)Nc1c....
48 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
49 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
50 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
51 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
52 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
53 1V1K Ki = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)CC(CO....
54 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
55 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
56 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
57 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
58 4EZ7 - STU C28 H26 N4 O3 CC12C(C(CC....
59 3PXZ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
60 1W0X - OLO C15 H18 N6 O Cn1cnc2c1n....
61 2XMY Ki = 0.11 nM CDK C18 H21 N5 O4 S2 CC1=C(SC(=....
62 2UZO ic50 = 18 uM C62 C14 H10 N2 O5 S2 c1cc(ccc1c....
63 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
64 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
65 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
66 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
67 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
68 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
69 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
70 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
71 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
72 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
73 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
74 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
75 2A0C - CK9 C19 H26 N6 O2 CCC(CO)Nc1....
76 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
77 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
78 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
79 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
80 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
81 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
82 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
83 1PXP Ki ~ 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
84 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
85 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
86 1AQ1 - STU C28 H26 N4 O3 CC12C(C(CC....
87 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]N=C1NC(....
88 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
89 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
90 3PJ8 - 404 C19 H26 N6 O CCC(CO)Nc1....
91 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
92 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
93 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
94 1H08 - BYP BWP n/a n/a
95 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
96 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
97 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
98 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
99 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
100 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
101 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
102 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
103 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
104 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
105 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 CC(C(C(C#C....
106 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
107 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
108 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
109 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
110 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CCC(CO)Nc1....
111 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
112 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
113 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
114 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
115 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
116 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
117 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
118 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1N....
119 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
120 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
121 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 CC1CC2CN1C....
122 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
123 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
124 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
125 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
126 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
127 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
128 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
129 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
130 2C5Y ic50 = 0.25 uM MTW C19 H15 N7 O2 c1cc(cc(c1....
131 1PXO Ki = 2 nM CK7 C14 H12 N6 O2 S Cc1c(sc(n1....
132 1H00 ic50 = 38 uM FAP C21 H23 F2 N5 O2 CN(C)CC(CO....
133 2R3R - 6SC C18 H14 Br N5 c1ccc(cc1)....
134 2R3K ic50 = 100 nM SCQ C18 H14 Br N5 c1ccc(cc1)....
135 2V0D - C53 C9 H7 N3 O S [H]N=C1NC(....
136 1B39 Kd = 0.12 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
137 2W1H ic50 = 0.052 uM L0F C17 H13 N5 O c1ccc(cc1)....
138 1Y91 ic50 = 0.059 uM CT9 C23 H33 N7 O2 S CC(C)c1cnn....
139 4AU8 ic50 = 551 nM Z3R C11 H8 N2 O2 S3 c1ccc2c(c1....
140 1V0P ic50 = 0.13 uM PVB C20 H25 Cl N6 O3 CC(C)C(CO)....
141 1V0O ic50 = 5.5 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
50% Homology Family (385)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 68 families.
1 3UOD Kd = 49 nM 0C3 C18 H13 F3 N4 O2 c1ccc(c(c1....
2 4UZH ic50 = 9800 nM JVE C15 H13 F N4 O c1ccc(c(c1....
3 3EFW - AK8 C25 H21 F3 N6 O2 Cc1cc(ccc1....
4 3UO4 Kd = 299 nM 0C0 C23 H18 N4 O2 c1ccc(cc1)....
5 3UP2 Kd = 40 nM 0C8 C18 H13 F3 N4 O3 c1ccc(c(c1....
6 2C6E - HPM C28 H31 N7 O4 COc1cc2c(c....
7 3H0Y ic50 = 0.006 uM 48B C23 H17 Cl F N5 O2 c1ccc(c(c1....
8 4B0G ic50 = 0.015 uM VEK C19 H21 Br N8 O Cc1cc(no1)....
9 4JBP ic50 = 41 nM YPH C34 H36 N6 O4 c1ccc(cc1)....
10 3H10 - 97B C30 H25 Cl F2 N6 O CN1CCN(CC1....
11 3DJ5 - AK5 C21 H20 Br N5 O3 S COc1ccc(cc....
12 3UOL ic50 = 3.1 nM 0C7 C17 H13 Cl N8 c1ccc(c(c1....
13 3D14 ic50 = 22 nM AK1 C19 H15 F3 N6 O S2 c1cc(cc(c1....
14 1MQ4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 4BN1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 2NP8 ic50 = 42 nM CC3 C21 H18 F3 N5 O c1cc(cc(c1....
17 4JBQ - VX6 C23 H28 N8 O S Cc1cc([nH]....
18 3DJ6 - AK6 C25 H24 N4 O3 S COc1ccc(cc....
19 2WQE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 4UYN ic50 = 2 nM Y3M C25 H22 N4 O4 S CCOC(=O)c1....
21 2WTV Ki = 1.8 nM ZZL C25 H15 Cl F2 N4 O2 c1cc(c(c(c....
22 3FDN ic50 = 0.033 uM MMH C21 H22 N6 O3 Cc1c(c([nH....
23 4J8M ic50 = 48 nM CJ5 C26 H25 F3 N8 O c1cc(cc(c1....
24 3O50 - LJE C24 H17 F3 N4 O2 Cc1cc(ccc1....
25 2J4Z ic50 = 65 nM 626 C23 H24 N6 O2 S CN1CCN(CC1....
26 3LAU ic50 = 0.044 uM OFI C17 H17 N3 O2 CCCC(=O)Nc....
27 4DEA ic50 = 256 nM NHI C18 H14 N4 O4 c1cc(ccc1C....
28 3DAJ ic50 = 2.9 uM FXG C22 H29 N7 O2 CCCCNC(=O)....
29 4JBO ic50 = 24 nM WPH C31 H32 N6 O3 CN(C)CCOc1....
30 2C6D - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
31 4DEE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
32 3K5U ic50 = 309 nM PFQ C20 H17 N3 O2 c1ccc(cc1)....
33 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
34 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
35 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
36 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
37 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
38 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
39 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
40 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1N....
41 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
42 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
43 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
44 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
45 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
46 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
47 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
48 4LYN - 1YG C20 H23 N3 O2 S2 CC(c1ccccc....
49 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
50 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
51 1CKP - PVB C20 H25 Cl N6 O3 CC(C)C(CO)....
52 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
53 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
54 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
55 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
56 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
57 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
58 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
59 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
60 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
61 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
62 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
63 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
64 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
65 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
66 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
67 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)CC(CO....
68 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
69 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S CC(CO)Nc1c....
70 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
71 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
72 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
73 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
74 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
75 1V1K Ki = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)CC(CO....
76 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
77 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
78 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
79 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
80 4EZ7 - STU C28 H26 N4 O3 CC12C(C(CC....
81 3PXZ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
82 1W0X - OLO C15 H18 N6 O Cn1cnc2c1n....
83 2XMY Ki = 0.11 nM CDK C18 H21 N5 O4 S2 CC1=C(SC(=....
84 2UZO ic50 = 18 uM C62 C14 H10 N2 O5 S2 c1cc(ccc1c....
85 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
86 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
87 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
88 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
89 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
90 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
91 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
92 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
93 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
94 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
95 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
96 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
97 2A0C - CK9 C19 H26 N6 O2 CCC(CO)Nc1....
98 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
99 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
100 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
101 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
102 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
103 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
104 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
105 1PXP Ki ~ 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
106 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
107 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
108 1AQ1 - STU C28 H26 N4 O3 CC12C(C(CC....
109 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]N=C1NC(....
110 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
111 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
112 3PJ8 - 404 C19 H26 N6 O CCC(CO)Nc1....
113 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
114 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
115 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
116 1H08 - BYP BWP n/a n/a
117 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
118 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
119 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
120 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
121 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
122 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
123 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
124 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
125 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
126 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
127 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 CC(C(C(C#C....
128 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
129 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
130 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
131 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
132 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CCC(CO)Nc1....
133 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
134 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
135 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
136 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
137 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
138 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
139 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
140 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1N....
141 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
142 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
143 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 CC1CC2CN1C....
144 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
145 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
146 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
147 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
148 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
149 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
150 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
151 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
152 2C5Y ic50 = 0.25 uM MTW C19 H15 N7 O2 c1cc(cc(c1....
153 1PXO Ki = 2 nM CK7 C14 H12 N6 O2 S Cc1c(sc(n1....
154 1H00 ic50 = 38 uM FAP C21 H23 F2 N5 O2 CN(C)CC(CO....
155 2R3R - 6SC C18 H14 Br N5 c1ccc(cc1)....
156 2R3K ic50 = 100 nM SCQ C18 H14 Br N5 c1ccc(cc1)....
157 2V0D - C53 C9 H7 N3 O S [H]N=C1NC(....
158 1B39 Kd = 0.12 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
159 2W1H ic50 = 0.052 uM L0F C17 H13 N5 O c1ccc(cc1)....
160 1Y91 ic50 = 0.059 uM CT9 C23 H33 N7 O2 S CC(C)c1cnn....
161 2ZJW ic50 = 0.04 uM REF C14 H6 O8 c1c2c-3c(c....
162 3AT4 Kd = 2.26 nM CCK C20 H20 N6 O2 CC(C)Nc1cc....
163 3OWJ Ki = 0.86 uM 1EL C17 H14 N2 O2 Cc1c2c(c(c....
164 3MB7 ic50 = 200 nM 14I C16 H8 O6 c1cc2c(cc(....
165 2E9O ic50 = 20 nM A58 C25 H27 N3 O2 CC1CCC(CC1....
166 2WMQ - ZYQ C9 H11 N3 O2 S CC(=O)Nc1n....
167 2C3J Ki = 0.659 uM DBQ C11 H11 N5 O2 c1c[nH]c2c....
168 2YM7 ic50 = 0.13 uM YM7 C15 H18 N8 c1c(ncnc1N....
169 2X8I ic50 = 0.19 uM X8I C17 H13 N3 O2 CC1=CC2=NN....
170 2YDJ ic50 = 0.005 uM YDJ C17 H19 F N4 O2 S c1cc(cc(c1....
171 4QYE ic50 = 1.2 uM 3DL C17 H12 N2 O3 c1cc(cc(c1....
172 2BRO ic50 = 1.4 uM DF2 C21 H20 N4 O2 c1ccc(cc1)....
173 2BRG ic50 = 6.1 uM DFY C21 H19 N3 O2 CN(CCO)c1c....
174 2YM5 ic50 = 0.43 uM YM5 C18 H21 N5 O2 c1cc(cc(c1....
175 4HYH ic50 = 1 nM 1AM C22 H22 N6 O3 S COc1ccc2c(....
176 2CGU ic50 = 13.4 uM 3A3 C17 H13 N O7 c1cc-2c(cc....
177 1NVS Ki = 15 nM UCM C24 H15 N3 O3 c1ccc2c(c1....
178 2YDK ic50 = 0.007 uM YDK C17 H20 N4 O2 S c1ccc(cc1)....
179 3OT3 ic50 = 0.005 uM 22K C16 H20 Br N7 Cn1cc(cn1)....
180 2WMR ic50 = 52 uM ZYR C10 H10 N2 O S C1CCc2c(c3....
181 3PA5 ic50 = 2 nM C73 C17 H19 Cl N4 O2 S c1cc(ccc1c....
182 2WMV ic50 = 9.2 uM ZYV C10 H14 N6 O c1[nH]c2c(....
183 2BRH ic50 = 22 uM DFW C20 H15 N3 O3 c1ccc(cc1)....
184 1NVR Ki = 7.8 nM STU C28 H26 N4 O3 CC12C(C(CC....
185 2CGX ic50 = 15.6 uM 3D3 C7 H8 N6 O S c1nc(c2c(n....
186 3OT8 ic50 = 0.009 uM MI5 C19 H22 N8 S Cc1cc(sn1)....
187 2YM4 ic50 = 1.5 uM 4YM C21 H22 N6 O3 CCOC(=O)c1....
188 4HYI ic50 = 2 nM 1AO C21 H20 N6 O S c1ccc2c(c1....
189 4QYF - 3DV C17 H13 N3 O3 c1cc(cc(c1....
190 3JVS Ki = 0.146 uM AGY C22 H22 N4 O4 CC(C)(C)c1....
191 2WMW ic50 = 0.39 uM ZYW C11 H14 Br N5 O c1c2c(c(cn....
192 2BR1 Ki = 7.2 uM PFP C22 H21 N3 O4 COc1ccc(cc....
193 2XF0 ic50 = 30 uM 4UB C15 H11 N5 c1ccc(cc1)....
194 2C3L Ki = 0.026 uM IDZ C14 H10 N4 c1ccc2c(c1....
195 2YM6 ic50 = 0.88 uM YM6 C14 H16 N6 O c1cncc2c1c....
196 2X8E ic50 = 0.014 uM X8E C16 H12 N4 O CC1=CC2=NN....
197 4QYG ic50 = 0.0041 uM 3DW C22 H21 N5 O2 CN1CCN(CC1....
198 2X8D ic50 = 0.8 uM X8D C11 H9 N3 O CC1=CC2=NN....
199 2YEX ic50 = 0.0001 uM YEX C15 H12 N4 O CC1=CC2=NN....
200 2BRM Ki = 1.3 uM DFZ C20 H18 N4 O c1ccc(cc1)....
201 2XEZ ic50 = 1.5 uM XEZ C12 H9 N7 c1c[nH]nc1....
202 1NVQ Ki = 5.6 nM UCN C28 H26 N4 O4 CC12C(C(CC....
203 3PA4 ic50 = 3 nM C72 C19 H19 Cl N4 O S c1cc(ccc1c....
204 2E9N ic50 = 6.2 nM 76A C29 H27 N3 O3 c1cc(ccc1c....
205 2YM3 ic50 = 1.2 uM YM3 C14 H19 N5 O3 CCOC(=O)c1....
206 2YDI - YDI C16 H20 N4 O3 S CN(C)CCOc1....
207 3EHA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
208 1JKL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
209 1JKK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
210 3F5G - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
211 3F5U - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
212 1P4F - DRG C12 H11 N3 c1ccc-2c(c....
213 4TXC Kd = 0.24 uM 38G C24 H27 N5 O3 CN(C)CCNC(....
214 2YAK ic50 = 2 nM OSV C27 H31 F N4 O3 Ru S4 CC(C)Oc1cc....
215 3EH9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
216 1IG1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
217 3SHE - I85 C24 H22 F3 N5 O2 c1cc(cc(c1....
218 3R1N - 05B C22 H21 N5 O3 c1cc2c(cc1....
219 4AU8 ic50 = 551 nM Z3R C11 H8 N2 O2 S3 c1ccc2c(c1....
220 1REJ Ki = 5 nM B1L C20 H22 N2 O5 c1cc(ccc1C....
221 3BWJ ic50 = 2.6 uM ARX C28 H47 N15 O7 c1nc(c2c(n....
222 3AG9 Ki = 9 nM A02 C40 H70 N18 O9 c1nc(c2c(n....
223 3AGL Ki = 16 nM A03 C37 H63 N17 O9 CC(C(=O)NC....
224 1RE8 Ki = 0.3 nM BD2 C27 H26 N2 O6 c1ccc(c(c1....
225 2VZ6 - FEF C20 H19 N3 O4 c1ccc2c(c1....
226 2Z7Q - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
227 2Z7R ic50 = 3 nM STU C28 H26 N4 O3 CC12C(C(CC....
228 3QD4 ic50 = 0.00000001 M 3Q6 C22 H30 N8 O2 CC1CC(CN(C....
229 1Z5M ic50 = 30 nM LI8 C23 H31 Br N8 O3 CC(C)(C(=O....
230 3RCJ ic50 = 0.8 uM 3RC C16 H13 N5 c1ccc(cc1)....
231 2PE0 - 39Z C14 H12 N2 O2 CC(c1ccc[n....
232 4CT2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
233 3QD0 ic50 = 0.00000001 M 3Q4 C24 H26 N8 O CC1CCC(CN1....
234 3ORZ - BI4 C27 H26 N4 O2 CN1CCCC1CC....
235 3HRC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
236 3ION ic50 = 8 nM 8H1 C28 H27 N5 O3 COc1cc2c3c....
237 2XCH ic50 = 374 nM CKG C22 H25 N7 O c1c2c(nc(n....
238 4AW0 - MJF C18 H15 Cl O5 c1ccc(cc1)....
239 1UU7 ic50 = 14 uM BI2 C27 H26 N4 O2 CN1CCCC1CC....
240 3OTU - BI4 C27 H26 N4 O2 CN1CCCC1CC....
241 3HRF Kd = 10.3 uM P47 C17 H15 Cl O2 c1ccc(cc1)....
242 3QCS ic50 = 0.00000001 M 3Q1 C15 H17 N7 O c1cc2c(cc1....
243 3QCX ic50 = 0.00000001 M 3Q2 C16 H19 N7 O CC1COCCN1c....
244 1UU3 ic50 = 0.75 uM LY4 C28 H28 N4 O3 CN(C)CC1CC....
245 1H1W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
246 3QC4 ic50 = 0.002 uM MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
247 4AW1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
248 3QCY ic50 = 0.00000001 M 3Q3 C22 H22 N8 O2 c1ccc(cc1)....
249 1UU8 ic50 = 9 uM BI1 C25 H24 N4 O2 CN(C)CCCn1....
250 4CT1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
251 2PE2 - 464 C28 H30 N6 O3 c1cc(cc(c1....
252 3H9O ic50 = 70 nM 9BD C19 H19 N5 O3 COCCOc1cc2....
253 4A07 - AZ7 C17 H13 Cl3 N2 O2 c1cc(ccc1C....
254 4KS7 - X4Z C25 H28 N8 O S Cc1nc2ccsc....
255 4KS8 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
256 4DGO ic50 = 0.57 uM 0JW C10 H10 N2 O3 c1cc(c(cc1....
257 4DGM ic50 = 1.2 uM AGI C15 H10 O5 c1cc(ccc1C....
258 2PVJ Ki = 0.005 uM P44 C19 H21 N7 c1ccc(cc1)....
259 4DGN ic50 = 0.35 uM LU2 C15 H10 O6 c1cc(c(cc1....
260 1M2Q - MNX C13 H7 N O6 c1cc(c2c(c....
261 1OM1 Ki = 0.17 uM IQA C17 H12 N2 O3 c1ccc2c(c1....
262 1ZOH Ki = 0.1 uM K44 C10 H7 Br4 N3 CN1CCn2c1n....
263 1M2R - MNY C14 H10 N2 O4 c1cc(c2c(c....
264 3KXN - K8X C7 H2 I4 N2 c1[nH]c2c(....
265 2PVK Ki = 0.008 uM P45 C19 H14 Cl N7 c1ccc(cc1)....
266 1DAY - GNP C10 H17 N6 O13 P3 c1nc2c(n1C....
267 3SLS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
268 4AUA ic50 = 7.2 uM 4AU C12 H9 N3 O c1ccc2c(c1....
269 2QHN ic50 = 980 nM 582 C13 H13 N3 O CCN1c2cccc....
270 3TKI ic50 = 0.05 nM S25 C20 H23 N7 O2 S c1cnc(cc1N....
271 2HXQ ic50 = 144 nM 373 C24 H26 N4 O c1ccc2c(c1....
272 2QHM ic50 = 660 nM 7CS C16 H19 N3 O2 CN1C2CCC1C....
273 2R0U ic50 = 1 nM M54 C25 H22 N4 O2 c1cc(cc(c1....
274 3TKH ic50 = 47 nM 07S C23 H27 N7 O2 S c1cc(cnc1)....
275 2HXL ic50 = 12 nM 422 C23 H24 N6 c1cc2c(cc1....
276 2HOG ic50 = 0.3 nM 710 C24 H25 N7 O c1cc2c(cc1....
277 2XK6 - EQH C18 H21 N3 O2 S c1csc(c1C2....
278 2WQO - VGK C21 H20 N2 O5 COc1cc(cc(....
279 2XKE ic50 = 4.2 uM WI2 C17 H20 N4 O3 COc1cccc(c....
280 2XNN - 430 C21 H16 F3 N3 O2 S CC(c1ccccc....
281 2XK7 ic50 = 1.5 uM 30E C21 H28 N4 O5 CCC1CN(CCC....
282 4EQU - G6I C30 H24 F3 N7 O2 Cc1ccc(cc1....
283 2J7T - 274 C28 H30 Cl N5 O4 S Cc1c([nH]c....
284 3GGF - GVD C22 H19 N7 c1ccc2c(c1....
285 3D0E ic50 = 13 nM G93 C21 H27 N7 O3 CCn1c2c(cn....
286 2JDO ic50 = 0.23 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
287 2X39 ic50 = 30 nM X39 C19 H21 Cl N6 O c1cc(ccc1C....
288 3E87 - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
289 1O6K - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
290 3E88 Ki = 2 nM G96 C24 H27 N7 O3 CCn1c2cc(n....
291 4OBQ ic50 = 0.065 uM 2QT C20 H20 F N5 O c1cc2c(cc1....
292 4U43 Kd = 48 uM 3D8 C11 H9 N5 c1cc(cnc1)....
293 4OBP ic50 = 0.017 uM 2QU C12 H8 F N5 c1cc(nc2c1....
294 4OBO ic50 = 0.077 uM 2QV C14 H10 Cl N3 c1cc(cc(c1....
295 4U44 ic50 = 0.008 uM 3D9 C17 H13 N5 c1ccc(cc1)....
296 3DAK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
297 4NW5 ic50 = 0.02 uM 2NR C23 H21 F N2 O5 COc1cccc(c....
298 4EL9 - AFE C21 H20 O10 CC1C(C(C(C....
299 4NUS ic50 = 0.005 uM 2NK C22 H21 F2 N3 O CN1CCN(CC1....
300 4NW6 ic50 = 0.004 uM 2NS C23 H20 N4 O4 COc1cc(cc(....
301 4GRB ic50 = 17 nM 0XG C19 H18 N4 O4 S CN(C)C(=O)....
302 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCCC(=NNC(....
303 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]N=C(N)N....
304 2W7X ic50 = 138 nM D1A C18 H17 N7 O3 CC(=NNC(=N....
305 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
306 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 CC(=NNC(=N....
307 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O CC(=NNC(=N....
308 2YCF ic50 = 0.7 nM YCF C19 H24 N10 O3 CC(=NNC(=N....
309 2WTI ic50 = 0.092 uM WTI C18 H15 N3 O3 S c1cc(ccc1c....
310 2YIR ic50 = 0.17 nM YIR C20 H19 N7 O3 c1cc2cc([n....
311 2XBJ ic50 = 0.86 uM XBJ C23 H27 F N4 O4 CC(C)(C1CN....
312 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
313 2XM9 ic50 = 0.009 uM LWH C21 H20 N6 O c1ccc2c(c1....
314 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O CC(=NNC1=N....
315 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O CC(=NNC(=N....
316 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
317 2CN5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
318 4FII - ARG PRO LYS PRO LEU VAL ASP PRO n/a n/a
319 4JDK - ARG ARG ARG ARG SER TRP TYR n/a n/a
320 4JDI - ARG ARG ARG ARG SER TRP TYR n/a n/a
321 3A7H - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
322 3A7J - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
323 3A7I - ADE C5 H5 N5 c1[nH]c2c(....
324 1U5R - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
325 3EQC - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
326 3EQH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
327 3EQI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
328 2J51 - DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
329 2UV2 - GVD C22 H19 N7 c1ccc2c(c1....
330 2JFL - DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
331 4FG9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
332 4FG8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
333 4JQE - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
334 1QL6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
335 1PHK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
336 2F57 - 23D C19 H24 Cl N7 CCn1cnc2c1....
337 1XJD Ki = 0.33 nM STU C28 H26 N4 O3 CC12C(C(CC....
338 3A62 - STU C28 H26 N4 O3 CC12C(C(CC....
339 3WF9 ic50 = 567 nM FS7 C24 H25 N3 O5 S CC1CCc2c(c....
340 3WF8 ic50 = 232 nM F76 C23 H23 N3 O5 S c1ccc2c(c1....
341 4L3L - 5FI C19 H21 F3 N6 CCc1cncnc1....
342 3WE4 ic50 = 15 nM 5FI C19 H21 F3 N6 CCc1cncnc1....
343 3WF7 ic50 = 206 nM FS9 C18 H17 F3 N6 O c1cc(cc(c1....
344 4L3J - 5FI C19 H21 F3 N6 CCc1cncnc1....
345 3WF6 ic50 = 33 nM FZ9 C18 H16 N6 c1ccc2c(c1....
346 4OTI ic50 = 43 nM MI1 C16 H20 N6 O CC1CCN(CC1....
347 2VN9 - GVD C22 H19 N7 c1ccc2c(c1....
348 4EJN ic50 = 0.005 uM 0R4 C33 H26 F N7 O2 CC(=O)Nc1c....
349 2V7O - DRN C25 H23 N5 O2 S [H]N=C(N)S....
350 2WEI ic50 = 3.4 nM VGG C17 H21 N5 Cc1cccc(c1....
351 3CQW ic50 = 42 nM CQW C12 H11 Cl N6 c1c(c2c([n....
352 3MV5 ic50 = 180 nM XFE C11 H15 N5 Cc1c[nH]c2....
353 3QKL - SMR C29 H40 N4 O5 S CCOCCN(CC(....
354 4GV1 ic50 = 3 nM 0XZ C21 H25 Cl N6 O2 c1cc(ccc1C....
355 3QKM ic50 = 0.038 uM SM9 C31 H43 N5 O4 S CCOCCN(CC(....
356 3MVH ic50 = 0.5 nM WFE C20 H22 F2 N6 O CCc1c[nH]c....
357 3CQU ic50 = 151 nM CQU C15 H13 N7 Cc1[nH]c(n....
358 3Q53 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
359 4O0R Ki = 0.036 uM X4Z C25 H28 N8 O S Cc1nc2ccsc....
360 4EQC ic50 = 0.008 uM XR1 C29 H28 Cl N7 O S CCN1c2c(cn....
361 3FY0 ic50 = 1090 nM DW1 C23 H13 N3 O4 Ru C1=CC(C=C1....
362 3FXZ ic50 = 130 nM FLL C30 H18 Cl F N5 O4 Ru c1ccc(cc1)....
363 3Q4Z - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
364 3GC0 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
365 3MFU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
366 3C0I - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
367 3MFS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
368 3MFR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
369 3TXO ic50 = 9 nM 07U C17 H19 N5 CC(C)(CNc1....
370 4OTH ic50 = 9 nM DRN C25 H23 N5 O2 S [H]N=C(N)S....
371 2J90 - IZA C18 H16 F N3 O CC(C)(C)c1....
372 3BHY - 7CP C18 H18 Cl2 N4 O Cn1c2c(ccc....
373 1V0P ic50 = 0.13 uM PVB C20 H25 Cl N6 O3 CC(C)C(CO)....
374 1V0O ic50 = 5.5 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
375 4NJD ic50 = 0.79 uM NJD C21 H20 N8 O COc1nc(nc(....
376 4APP Ki = 0.064 uM N53 C33 H36 N6 O3 CC1(c2c(c(....
377 4O0X Ki = 0.068 uM 2OQ C19 H20 N6 O Cc1nc2ccc(....
378 2X4Z Ki = 18.7 nM X4Z C25 H28 N8 O S Cc1nc2ccsc....
379 4O0Y Ki = 0.06 uM 2OO C17 H19 N7 O CCNc1nc2cc....
380 2CDZ - 23D C19 H24 Cl N7 CCn1cnc2c1....
381 3A8W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
382 3AQV - TAK C24 H25 N5 O c1cc(ccc1c....
383 3WAR - NIO C6 H5 N O2 c1cc(cnc1)....
384 2YAB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
385 2YAA - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CK7; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 CK7 1 1
2 CK8 0.407407 0.649123
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XMY; Ligand: CDK; Similar sites found: 674
This union binding pocket(no: 1) in the query (biounit: 2xmy.bio1) has 51 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 4K77 1Q4 0.000000008642 0.78177
2 2OIC STU 0.000000004078 0.77562
3 2OIC STU 0.000000004306 0.77439
4 2OIC STU 0.000000003673 0.767
5 4IVB 1J5 0.000000006492 0.75438
6 4IVC 1J6 0.000000001688 0.7536
7 4C4F 7CE 0.000000001111 0.75291
8 2NRY STU 0.000000004389 0.75275
9 4IVB 1J5 0.000000005006 0.74989
10 4EHZ JAK 0.00000001335 0.74877
11 4EHZ JAK 0.00000001349 0.74855
12 4EHZ JAK 0.00000001383 0.74799
13 4K77 1Q4 0.0000000224 0.74779
14 4EI4 0Q2 0.00000001404 0.74763
15 4EI4 0Q2 0.00000001418 0.74742
16 4IVC 1J6 0.000000002339 0.74679
17 4E4L 0NH 0.000000009809 0.74524
18 4C58 824 0.000000006763 0.74337
19 4E4L 0NH 0.00000001068 0.74336
20 4EHZ JAK 0.00000001965 0.74003
21 3HMO STU 0.000000008125 0.73939
22 3V8S 0HD 0.000000008214 0.73915
23 4JR7 GNP 0.00000001323 0.73862
24 3V8S 0HD 0.000000008439 0.73857
25 4IVD 15T 0.000000002361 0.73749
26 4E4L 0NH 0.00000000897 0.73724
27 3LXN MI1 0.000000002483 0.73645
28 4IVD 15T 0.00000000256 0.73583
29 3OFM 4B0 0.0000001483 0.73529
30 2OIC STU 0.00000002605 0.73365
31 2R5T ANP 0.000000001862 0.73355
32 2R5T ANP 0.000000001862 0.73355
33 2OID ANP 0.000000007709 0.73099
34 4C2W ANP 0.00000006403 0.72349
35 1U59 STU 0.00000001117 0.7231
36 2F2U M77 0.00000006693 0.72247
37 4E4N 0NL 0.000000007792 0.7217
38 4E6Q 0NV 0.000000007985 0.72119
39 4E6Q 0NV 0.000000005634 0.71969
40 2NRY STU 0.00000002093 0.71886
41 2NRY STU 0.00000003512 0.71699
42 2OID ANP 0.00000002291 0.71689
43 3EYH IZA 0.00000001518 0.71658
44 4FK6 0UJ 0.00000002403 0.71586
45 4E6D 0NU 0.00000001066 0.71517
46 2R5T ANP 0.000000003173 0.71461
47 3EYG MI1 0.00000001133 0.71389
48 2ZV2 609 0.0000001003 0.7131
49 4FK6 0UJ 0.00000002736 0.71305
50 1O9U ADZ 0.0000005691 0.71281
51 4E4N 0NL 0.00000001899 0.71182
52 2NRY STU 0.00000002931 0.71155
53 2F2U M77 0.0000001105 0.71086
54 4G31 0WH 0.00000002408 0.70677
55 3UIM ANP 0.00000002523 0.70578
56 2PVN P63 0.0000000006883 0.70575
57 3OWL 19E 0.0000004353 0.70477
58 3HZT J60 0.0000001467 0.7043
59 4KWP EXX 0.0000005084 0.70193
60 3SRV S19 0.00000004779 0.70094
61 2B9F ADP 0.00000003364 0.69966
62 3F7Z 34O 0.00000005134 0.69939
63 4E1Z 0MX 0.000000006907 0.69926
64 4GJ3 0XP 0.0000000004638 0.69894
65 4N6Z 2HW 0.0000001266 0.69787
66 3LXK MI1 0.000000001612 0.69729
67 4OH4 ANP 0.00000004109 0.69541
68 3OWK 18E 0.0000006425 0.69436
69 4F9C 0SX 0.00000006635 0.69383
70 4OAC ADP 0.00000004683 0.69263
71 3ALN ANP 0.00000007264 0.69186
72 3TTI KBI 0.00000003264 0.69182
73 3CY2 MB9 0.0000002543 0.69158
74 4IDT T28 0.00000007738 0.69049
75 3F7Z 34O 0.0000001825 0.6896
76 2JLD AG1 0.000000001153 0.68954
77 4MWH ATP 0.00000002529 0.68896
78 4MWH ATP 0.00000002529 0.68896
79 4OH4 ANP 0.00000004225 0.68644
80 3BI6 396 0.00000001959 0.68627
81 3SRV S19 0.0000001442 0.6857
82 3H9R TAK 0.0000005055 0.68541
83 3BRB ADP 0.0000006048 0.68116
84 2B9J ADP 0.0000001195 0.68106
85 2JLD AG1 0.000000001007 0.67886
86 3FI3 JK2 0.00000006217 0.67839
87 3BRB ADP 0.000000759 0.67579
88 3ZOS 0LI 0.0000003389 0.67559
89 4I94 ANP 0.0000002377 0.67464
90 4IZY 1J2 0.00000005256 0.67399
91 1OPK P16 0.00000003647 0.67379
92 4GW8 3RA 0.0000006053 0.67151
93 4F99 ADP 0.0000001913 0.67086
94 4X0M 3WA 0.000001958 0.67083
95 2B9I ADP 0.0000001346 0.67017
96 2O2U 738 0.0000002939 0.66994
97 3IGO ANP 0.00000004449 0.66979
98 2H8H H8H 0.0000001372 0.66977
99 2OID ANP 0.00000009404 0.66975
100 4BHN BH9 0.00000002168 0.66946
101 2P2H 994 0.0000003109 0.66869
102 4C2V YJA 0.000000003822 0.66814
103 4MQ1 2C3 0.00000007037 0.66802
104 2QCS ANP 0.00000001159 0.66756
105 2JLD AG1 0.000000001366 0.66741
106 1Q8Y ADE 0.000001088 0.66725
107 4F9A ADP 0.0000002343 0.66645
108 1CM8 ANP 0.0000002383 0.66609
109 1CM8 ANP 0.000000245 0.66548
110 3M2W L8I 0.0000005341 0.6653
111 3JPV 1DR 0.000001834 0.66455
112 4MQ1 2C3 0.0000001253 0.66377
113 4MKC 4MK 0.00000008975 0.66304
114 2RIO ADP 0.0000002889 0.66191
115 4N70 2HX 0.0000006261 0.6617
116 4OA2 ADP 0.0000001439 0.66088
117 4CNH 3U9 0.0000002313 0.65866
118 4MQ1 2C3 0.00000008274 0.65733
119 3FHI ANP 0.00000002248 0.65514
120 4H3P ANP 0.0000002764 0.65487
121 4MQ1 2C3 0.0000001338 0.65486
122 3IDB ANP 0.00000006686 0.65446
123 3EKK GS2 0.00000007014 0.65352
124 2OID ANP 0.0000006187 0.65345
125 4X2J 3WN 0.0000006224 0.65332
126 4X2K 3WO 0.0000006224 0.65332
127 2OXY K17 0.000003736 0.65327
128 4BHN BH9 0.0000001023 0.65306
129 4FL3 ANP 0.0000001031 0.6529
130 4I94 ANP 0.0000004544 0.65208
131 2PVF ACP 0.0000004603 0.6518
132 4MBI 26K 0.000001454 0.65123
133 3EQR T74 0.0000000419 0.64995
134 3ALN ANP 0.0000001712 0.64982
135 3THB 3TA 0.000000002008 0.64923
136 3THB 3TA 0.000000002008 0.64923
137 2OXY K17 0.000003848 0.64917
138 3VRY B43 0.00000004479 0.64867
139 4F1M ACP 0.0000008052 0.64761
140 2VAG V25 0.0000003921 0.64744
141 4CCU AWF 0.0000005925 0.64632
142 3FHR P4O 0.0000002897 0.64629
143 3GQI ACP 0.0000004154 0.64621
144 4BFM ANP 0.0000002052 0.64611
145 3ZRM ZRM 0.0000004399 0.64499
146 3KRL KRL 0.0000001547 0.64475
147 4NWM 2P5 0.0000001176 0.64333
148 4F9A ADP 0.0000007037 0.64259
149 2WU6 DKI 0.0000001382 0.64014
150 2WQN ADP 0.00000166 0.63964
151 2QLU ADE 0.000005709 0.63843
152 1VJY 460 0.00000005779 0.63744
153 4QTB 38Z 0.00000003115 0.63657
154 4H3P ANP 0.0000006571 0.63646
155 3UYT 0CK 0.0000004667 0.63634
156 3ALN ANP 0.000002854 0.63563
157 3VRY B43 0.00000004676 0.6352
158 4AT3 LTI 0.000001017 0.63461
159 3MB6 01I 0.000007214 0.63456
160 4EUU BX7 0.00000006779 0.63445
161 3EQR T74 0.00000006943 0.634
162 3EQR T74 0.00000006943 0.634
163 4QTB 38Z 0.00000003712 0.63339
164 4F1T H52 0.000008776 0.63193
165 2X2M X2M 0.0000003069 0.63099
166 4I6H 1C8 0.0000008885 0.63004
167 4KBA 1QM 0.0000009314 0.62904
168 4KBA 1QM 0.0000009314 0.62904
169 3PP0 03Q 0.0000002713 0.62682
170 4F9B 0SY 0.000009786 0.62672
171 4K1B 1OC 0.00000152 0.62588
172 3GC8 B45 0.0000004182 0.62477
173 3GNI ATP 0.000000614 0.62369
174 4DCE 0JF 0.0000004583 0.62293
175 4OAV ACP 0.00000175 0.62282
176 4H3Q ANP 0.0000003344 0.6227
177 3SXS PP2 0.000000647 0.62261
178 4K33 ACP 0.0000009695 0.6211
179 1Q8Y ADP 0.0000007114 0.62067
180 3BU5 ATP 0.000001409 0.62024
181 2EVA ADN 0.00000006249 0.61824
182 3SXF BK5 0.00000001824 0.61786
183 4KBC 1QJ 0.000004415 0.6175
184 4AG8 AXI 0.00000003586 0.61699
185 2NRU T12 0.000002505 0.61505
186 3PP0 03Q 0.000000196 0.61455
187 3UZP 0CK 0.000001905 0.61382
188 4F1O ACP 0.000005195 0.61381
189 4FOC 0UU 0.000002735 0.61314
190 4CQE CQE 0.0000005464 0.61301
191 2CSN CKI 0.0000002203 0.61236
192 3GC8 B45 0.0000006136 0.61072
193 2QU6 857 0.0000003557 0.60917
194 4F9B 0SY 0.00002072 0.60718
195 1ZY5 ANP 0.000004001 0.60488
196 4KBC 1QJ 0.000007784 0.60466
197 4KBC 1QJ 0.000007784 0.60466
198 2QU6 857 0.0000008453 0.6044
199 4AOI 4K0 0.000005837 0.60373
200 2A19 ANP 0.00001137 0.60364
201 4JX7 1N6 0.000008357 0.60305
202 4KBA 1QM 0.000004353 0.60305
203 4NFN 2KC 0.000004368 0.60298
204 3VHE 42Q 0.0000001469 0.60297
205 4CD0 AWJ 0.000001248 0.6028
206 3UYT 0CK 0.000002346 0.60266
207 3ZBF VGH 0.00000633 0.60193
208 3UZP 0CK 0.000002476 0.60154
209 3UZP 0CK 0.000002476 0.60154
210 3BQC EMO 0.000001355 0.60114
211 4CNH 3U9 0.00001304 0.60046
212 4QTC 38Z 0.0000005687 0.60023
213 2NRU T12 0.000003614 0.6002
214 2Y6O 1N1 0.000001449 0.5998
215 4CLJ 5P8 0.000005177 0.59929
216 4TWC 37J 0.000005232 0.59907
217 1XKK FMM 0.00000002326 0.59884
218 4CQE CQE 0.000001621 0.59755
219 2P2I 608 0.0000009215 0.59675
220 2P2I 608 0.0000009748 0.59566
221 2XVD AS6 0.000000316 0.59453
222 3RI1 3RH 0.0000005825 0.59413
223 2HK5 1BM 0.000002656 0.59372
224 4AT5 MUJ 0.000002029 0.59304
225 2NRU T12 0.000003828 0.59246
226 1XR1 ANP 0.000004061 0.59123
227 4F0F ACP 0.00001047 0.59079
228 4DCE 0JF 0.0000032 0.5899
229 4KBA 1QM 0.00001524 0.58946
230 1ZP9 ATP 0.000008661 0.58813
231 4TW9 386 0.000008809 0.58776
232 3PVW QRX 0.000000827 0.58756
233 4RLL E91 0.00005141 0.58574
234 1ZTH ADP 0.00002511 0.58531
235 4PMT 31Y 0.00000541 0.58524
236 4NWM 2P5 0.000000006058 0.58371
237 1ZP9 ATP 0.00001119 0.58257
238 1ZTH ADP 0.00003022 0.58102
239 3UYT 0CK 0.000006744 0.58065
240 4HNF 16W 0.00003138 0.58015
241 1ULE GLA GAL NAG 0.00006909 0.58007
242 4KBA 1QM 0.000009946 0.57868
243 1ZTH ADP 0.0000339 0.57836
244 4KNB 1RU 0.00001988 0.57659
245 4AT4 T6E 0.000006323 0.57596
246 4ASE AV9 0.000001285 0.5741
247 3QUP LUN 0.00001689 0.57364
248 4HNF 16W 0.00001722 0.57322
249 3E8N ATP 0.00000002344 0.57218
250 3E8N VRA 0.00000002344 0.57218
251 3E8N VRA 0.00000002344 0.57218
252 3E8N ATP 0.00000002344 0.57218
253 4MK0 29X 0.000003295 0.57204
254 4KNB 1RU 0.00002601 0.57063
255 4PMM 31V 0.000006189 0.57063
256 4TWC 37J 0.00001101 0.57041
257 4ORK GDP 0.00003612 0.56993
258 3UYT 0CK 0.00001135 0.56979
259 1ZP9 ATP 0.0000271 0.56972
260 1ZP9 ATP 0.00002803 0.56898
261 3ORK AGS 0.000002995 0.56857
262 4FOB 0US 0.000005668 0.56685
263 2NRU T12 0.00001063 0.56533
264 4LRJ ANP 0.00002489 0.56523
265 4IWD 1JC 0.0000004509 0.56395
266 4WHZ 3NL 0.0000001206 0.56378
267 4C2V YJA 0.000001029 0.56345
268 3RE4 TO1 0.00002723 0.56328
269 1ZTH ADP 0.00005074 0.56224
270 2XB7 GUI 0.0000001047 0.56184
271 3ZOS 0LI 0.000002508 0.56177
272 4LRJ ANP 0.00002979 0.56133
273 4C2W ANP 0.0001516 0.56053
274 3TDV GDP 0.00002377 0.56015
275 4ORK GDP 0.00003338 0.55886
276 4ORK GDP 0.00002717 0.55731
277 3TDV GDP 0.00002853 0.55627
278 3RI1 3RH 0.000004482 0.55588
279 4LOO SB4 0.00003054 0.55482
280 1Y57 MPZ 0.00001158 0.55274
281 4KNB 1RU 0.00007755 0.55264
282 4KNB 1RU 0.00005872 0.5526
283 4Q5H ANP 0.00003519 0.55181
284 3RE4 TO1 0.0001086 0.55142
285 4ITH RCM 0.00004839 0.5508
286 4PNI KQQ 0.00000432 0.54708
287 4CYI ATP 0.00002616 0.5469
288 2CFM AMP 0.0001327 0.54678
289 2XNM WGZ 0.000003649 0.5456
290 4E93 GUI 0.000002354 0.54453
291 4ITH RCM 0.0000653 0.5443
292 3WG3 A2G GAL NAG FUC 0.0003035 0.54406
293 4F4P 0SB 0.000000214 0.54309
294 3LKM AMP 0.00004181 0.54259
295 2PZI AXX 0.0001301 0.54093
296 4CYI ATP 0.0000478 0.5398
297 4CYI ATP 0.0000495 0.53907
298 2PZI AXX 0.0001509 0.53756
299 3U6H 03X 0.000001364 0.5372
300 4DEH 0JK