Receptor
PDB id Resolution Class Description Source Keywords
4ERW 2 Å EC: 2.7.11.22 CDK2 IN COMPLEX WITH STAUROSPORINE HOMO SAPIENS PROTEIN KINASE TRANSFERASE-ANTIBIOTIC COMPLEX
Ref.: A NOVEL APPROACH TO THE DISCOVERY OF SMALL-MOLECULE OF CDK2. CHEMBIOCHEM V. 13 2128 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:302;
A:303;
A:304;
A:305;
A:306;
A:307;
A:308;
A:309;
A:310;
A:311;
A:312;
A:313;
A:314;
A:315;
A:316;
A:317;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
STU A:301;
Valid;
none;
submit data
466.531 C28 H26 N4 O3 C[C@@...
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 (150)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3PXQ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
2 2R3N ic50 = 70 nM SCZ C21 H19 N5 c1ccc(cc1)....
3 1H0V - UN4 C10 H12 N6 O2 c1[nH]c2c(....
4 4NJ3 Ki = 0.14 uM 2KD C27 H21 Cl N2 O6 COC(=O)[C@....
5 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
6 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
7 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
8 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
9 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
10 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1/....
11 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
12 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
13 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
14 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
15 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
16 4LYN - 1YG C20 H23 N3 O2 S2 C[C@@H](c1....
17 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
18 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
19 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
20 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
21 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
22 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
23 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
24 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
25 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
26 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
27 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
28 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
29 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
30 5JQ5 Kd = 2341 nM I74 C22 H30 N6 O CC(C)c1cnn....
31 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
32 1V1K Ki = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)C[C@H....
33 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
34 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
35 3PXZ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
36 1W0X - OLO C15 H18 N6 O Cn1cnc2c1n....
37 2XMY Ki = 0.11 nM CDK C18 H21 N5 O4 S2 CC1=C(SC(=....
38 2UZO ic50 = 18 uM C62 C14 H10 N2 O5 S2 c1cc(ccc1c....
39 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
40 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
41 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
42 5JQ8 - I73 C22 H30 N6 O CC(C)c1cnn....
43 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
44 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
45 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
46 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
47 1PXP Ki ~ 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
48 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]/N=C/1N....
49 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
50 5K4J - 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
51 3PJ8 - 404 C19 H26 N6 O CC[C@H](CO....
52 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
53 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
54 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
55 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
56 5IEX - 6AF C17 H21 Br N4 O3 S C[C@H]([C@....
57 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
58 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
59 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
60 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CC[C@H](CO....
61 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
62 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
63 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
64 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
65 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
66 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
67 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
68 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
69 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 C[C@@H]1C[....
70 5FP5 - 1Y6 C7 H5 F O2 c1cc(ccc1C....
71 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
72 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
73 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
74 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
75 1PXO Ki = 2 nM CK7 C14 H12 N6 O2 S Cc1c(sc(n1....
76 1H00 ic50 = 38 uM FAP C21 H23 F2 N5 O2 CN(C)C[C@@....
77 2R3R - 6SC C18 H14 Br N5 c1ccc(cc1)....
78 1B39 Kd = 0.12 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
79 3PXF Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
80 3TI1 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
81 2R3G ic50 = 800 nM SC9 C18 H14 F N5 c1ccc(c(c1....
82 2C69 ic50 = 26 uM CT8 C17 H14 Br N6 c1cc(cc(c1....
83 2VTM ic50 ~ 1 mM LZM C7 H4 N4 c1cnc2c(cn....
84 4ERW - STU C28 H26 N4 O3 C[C@@]12[C....
85 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
86 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
87 5IEV - R0N C18 H23 F3 N4 O3 S C[C@H]([C@....
88 4D1X - ESJ C11 H8 N2 O3 S2 c1cc2c(cc1....
89 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
90 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
91 5FP6 - MFZ C11 H7 Cl2 N O c1cc(c2c(c....
92 1CKP - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
93 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
94 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
95 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
96 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
97 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
98 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)C[C@H....
99 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
100 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S C[C@H](CO)....
101 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
102 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
103 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
104 5A14 - LQ5 C24 H26 F3 N7 O2 CN1CCN(CC1....
105 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
106 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
107 4EZ7 - STU C28 H26 N4 O3 C[C@@]12[C....
108 5D1J ic50 = 48 nM 56H C17 H24 N4 O2 S2 CC(C)(C)c1....
109 5IEY - 6AE C14 H19 N5 O3 S C[C@H]([C@....
110 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
111 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
112 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
113 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
114 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
115 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
116 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
117 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
118 2A0C - CK9 C19 H26 N6 O2 CC[C@H](CO....
119 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
120 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
121 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
122 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
123 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
124 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
125 1AQ1 - STU C28 H26 N4 O3 C[C@@]12[C....
126 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
127 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
128 1H08 - BYP BWP n/a n/a
129 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
130 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
131 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
132 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
133 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
134 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
135 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 C[C@H]([C@....
136 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
137 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
138 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
139 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
140 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1/....
141 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
142 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
143 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
144 4D1Z - WG8 C13 H10 N2 O3 S c1cc2ccc(n....
145 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
146 2C5Y ic50 = 0.25 uM MTW C19 H15 N7 O2 c1cc(cc(c1....
147 2R3K ic50 = 100 nM SCQ C18 H14 Br N5 c1ccc(cc1)....
148 2V0D - C53 C9 H7 N3 O S [H]/N=C1/N....
149 2W1H ic50 = 0.052 uM L0F C17 H13 N5 O c1ccc(cc1)....
150 1Y91 ic50 = 0.059 uM CT9 C23 H33 N7 O2 S CC(C)c1cnn....
70% Homology Family (153)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3PXQ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
2 2R3N ic50 = 70 nM SCZ C21 H19 N5 c1ccc(cc1)....
3 1H0V - UN4 C10 H12 N6 O2 c1[nH]c2c(....
4 4NJ3 Ki = 0.14 uM 2KD C27 H21 Cl N2 O6 COC(=O)[C@....
5 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
6 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
7 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
8 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
9 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
10 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1/....
11 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
12 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
13 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
14 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
15 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
16 4LYN - 1YG C20 H23 N3 O2 S2 C[C@@H](c1....
17 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
18 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
19 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
20 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
21 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
22 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
23 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
24 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
25 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
26 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
27 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
28 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
29 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
30 5JQ5 Kd = 2341 nM I74 C22 H30 N6 O CC(C)c1cnn....
31 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
32 1V1K Ki = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)C[C@H....
33 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
34 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
35 3PXZ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
36 1W0X - OLO C15 H18 N6 O Cn1cnc2c1n....
37 2XMY Ki = 0.11 nM CDK C18 H21 N5 O4 S2 CC1=C(SC(=....
38 2UZO ic50 = 18 uM C62 C14 H10 N2 O5 S2 c1cc(ccc1c....
39 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
40 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
41 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
42 5JQ8 - I73 C22 H30 N6 O CC(C)c1cnn....
43 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
44 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
45 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
46 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
47 1PXP Ki ~ 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
48 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]/N=C/1N....
49 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
50 5K4J - 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
51 3PJ8 - 404 C19 H26 N6 O CC[C@H](CO....
52 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
53 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
54 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
55 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
56 5IEX - 6AF C17 H21 Br N4 O3 S C[C@H]([C@....
57 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
58 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
59 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
60 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CC[C@H](CO....
61 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
62 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
63 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
64 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
65 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
66 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
67 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
68 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
69 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 C[C@@H]1C[....
70 5FP5 - 1Y6 C7 H5 F O2 c1cc(ccc1C....
71 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
72 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
73 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
74 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
75 1PXO Ki = 2 nM CK7 C14 H12 N6 O2 S Cc1c(sc(n1....
76 1H00 ic50 = 38 uM FAP C21 H23 F2 N5 O2 CN(C)C[C@@....
77 2R3R - 6SC C18 H14 Br N5 c1ccc(cc1)....
78 1B39 Kd = 0.12 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
79 3PXF Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
80 3TI1 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
81 2R3G ic50 = 800 nM SC9 C18 H14 F N5 c1ccc(c(c1....
82 2C69 ic50 = 26 uM CT8 C17 H14 Br N6 c1cc(cc(c1....
83 2VTM ic50 ~ 1 mM LZM C7 H4 N4 c1cnc2c(cn....
84 4ERW - STU C28 H26 N4 O3 C[C@@]12[C....
85 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
86 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
87 5IEV - R0N C18 H23 F3 N4 O3 S C[C@H]([C@....
88 4D1X - ESJ C11 H8 N2 O3 S2 c1cc2c(cc1....
89 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
90 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
91 5FP6 - MFZ C11 H7 Cl2 N O c1cc(c2c(c....
92 1CKP - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
93 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
94 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
95 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
96 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
97 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
98 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)C[C@H....
99 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
100 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S C[C@H](CO)....
101 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
102 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
103 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
104 5A14 - LQ5 C24 H26 F3 N7 O2 CN1CCN(CC1....
105 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
106 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
107 4EZ7 - STU C28 H26 N4 O3 C[C@@]12[C....
108 5D1J ic50 = 48 nM 56H C17 H24 N4 O2 S2 CC(C)(C)c1....
109 5IEY - 6AE C14 H19 N5 O3 S C[C@H]([C@....
110 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
111 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
112 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
113 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
114 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
115 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
116 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
117 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
118 2A0C - CK9 C19 H26 N6 O2 CC[C@H](CO....
119 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
120 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
121 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
122 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
123 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
124 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
125 1AQ1 - STU C28 H26 N4 O3 C[C@@]12[C....
126 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
127 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
128 1H08 - BYP BWP n/a n/a
129 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
130 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
131 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
132 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
133 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
134 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
135 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 C[C@H]([C@....
136 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
137 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
138 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
139 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
140 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1/....
141 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
142 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
143 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
144 4D1Z - WG8 C13 H10 N2 O3 S c1cc2ccc(n....
145 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
146 2C5Y ic50 = 0.25 uM MTW C19 H15 N7 O2 c1cc(cc(c1....
147 2R3K ic50 = 100 nM SCQ C18 H14 Br N5 c1ccc(cc1)....
148 2V0D - C53 C9 H7 N3 O S [H]/N=C1/N....
149 2W1H ic50 = 0.052 uM L0F C17 H13 N5 O c1ccc(cc1)....
150 1Y91 ic50 = 0.059 uM CT9 C23 H33 N7 O2 S CC(C)c1cnn....
151 4AU8 ic50 = 551 nM Z3R C11 H8 N2 O2 S3 c1ccc2c(c1....
152 1V0P ic50 = 0.13 uM PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
153 1V0O ic50 = 5.5 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3PXQ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
2 2R3N ic50 = 70 nM SCZ C21 H19 N5 c1ccc(cc1)....
3 1H0V - UN4 C10 H12 N6 O2 c1[nH]c2c(....
4 4NJ3 Ki = 0.14 uM 2KD C27 H21 Cl N2 O6 COC(=O)[C@....
5 3PXF Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
6 3TI1 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
7 2R3G ic50 = 800 nM SC9 C18 H14 F N5 c1ccc(c(c1....
8 2C69 ic50 = 26 uM CT8 C17 H14 Br N6 c1cc(cc(c1....
9 2VTM ic50 ~ 1 mM LZM C7 H4 N4 c1cnc2c(cn....
10 4ERW - STU C28 H26 N4 O3 C[C@@]12[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: STU; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 STU 1 1
2 UCN 0.666667 0.892308
3 KSA 0.535714 0.882353
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XMY; Ligand: CDK; Similar sites found: 578
This union binding pocket(no: 1) in the query (biounit: 2xmy.bio1) has 62 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3IWD M2T 0.01028 0.46662 None
2 3ZW0 FUC 0.02878 0.43669 None
3 1P0Z FLC 0.03695 0.42948 None
4 2Z77 HE7 0.02531 0.41194 None
5 1L6O SER LEU LYS LEU MET THR THR VAL 0.04325 0.40313 None
6 5I35 ANP 0.00002189 0.57687 1.34228
7 3W54 RNB 0.0273 0.41597 1.34228
8 3PDT ADP 0.0003296 0.52214 1.45455
9 4ZYB 4SQ 0.02274 0.42985 1.49254
10 1ZGS XMM 0.02453 0.43719 1.67785
11 5KJW 53C 0.04989 0.42143 1.67785
12 2AQX ATP 0.007512 0.43437 1.7301
13 4GGZ BTN 0.007431 0.45579 1.73913
14 4CSD MFU 0.04155 0.42622 1.83824
15 2AGC MYR 0.01652 0.44643 1.85185
16 3KMZ EQO 0.02132 0.4008 1.8797
17 5FU3 BGC BGC BGC 0.003088 0.49244 1.88679
18 3BF1 ADP 0.01641 0.41555 2.00803
19 3TY5 ATP 0.001169 0.50367 2.01342
20 1OFL NGK GCD 0.007035 0.46963 2.01342
21 3K5I ADP 0.005596 0.44365 2.01342
22 1ODM ASV 0.006074 0.42993 2.01342
23 3KV4 OGA 0.03785 0.4288 2.01342
24 5MBC FMN 0.02455 0.42138 2.01342
25 1DMY AZM 0.02576 0.4344 2.01613
26 4ZGP ADP 0.01875 0.42741 2.04778
27 1TMX BEZ 0.04836 0.41895 2.04778
28 4D06 NAR 0.01149 0.42561 2.12014
29 2QZ3 XYP XYP XYP 0.02502 0.40952 2.16216
30 3W21 AKG 0.04045 0.42295 2.1978
31 1KQW RTL 0.01373 0.43101 2.23881
32 1UYY BGC BGC 0.01809 0.44733 2.29008
33 3P7N FMN 0.03497 0.40774 2.32558
34 3AKK ADP 0.0004215 0.50206 2.34899
35 2IF8 ADP 0.00402 0.48461 2.34899
36 2YW2 ATP 0.002421 0.46117 2.34899
37 5KR7 6X9 0.008396 0.45716 2.34899
38 4XCP PLM 0.01485 0.45685 2.34899
39 4P25 FUC GAL NAG FUC 0.005046 0.45281 2.34899
40 4N14 WR7 0.008698 0.44358 2.34899
41 1TV5 N8E 0.02397 0.44161 2.34899
42 4ZVI 4S4 0.01542 0.42537 2.34899
43 4DMG SAM 0.03426 0.42027 2.34899
44 4GCZ FMN 0.02095 0.41879 2.34899
45 1TI7 NAP 0.0216 0.41257 2.34899
46 3TPV ADE 0.03007 0.41101 2.34899
47 3KAL ADP 0.008089 0.40778 2.34899
48 1XON PIL 0.01586 0.40419 2.34899
49 2VUT NAD 0.03328 0.40359 2.34899
50 3ZJX BOG 0.01792 0.44852 2.42215
51 3VKC FPQ 0.01859 0.41568 2.44755
52 5FKP 6UL 0.01699 0.4029 2.45614
53 4HN1 TYD 0.03771 0.42144 2.48756
54 5CJF 520 0.02465 0.42797 2.50896
55 1KSK URA 0.03904 0.42249 2.5641
56 5T7I LAT NAG GAL 0.001355 0.51354 2.58065
57 5TH5 MET 0.01815 0.44834 2.6616
58 2JIG PD2 0.01428 0.44876 2.67857
59 4ZS4 ATP 0.0001467 0.5245 2.68456
60 4RDL FUC GAL NDG FUC 0.0009006 0.5243 2.68456
61 5VZ0 ADP 0.001891 0.4783 2.68456
62 3X01 AMP 0.00568 0.476 2.68456
63 1I7L ATP 0.001195 0.46499 2.68456
64 3ORQ ADP 0.007853 0.43655 2.68456
65 2WKQ FMN 0.03909 0.40533 2.68456
66 2YOO K2B 0.04356 0.40298 2.68456
67 5W2I I3P 0.002869 0.44763 2.72374
68 5W2I ADP 0.002869 0.44763 2.72374
69 2AKO ADP 0.03702 0.41216 2.78884
70 1KQR MNA 0.04241 0.40414 2.7933
71 1OPB RET 0.007716 0.44017 2.98507
72 5MRH Q9Z 0.00199 0.49638 3.02013
73 5C1P ADP 0.002689 0.47927 3.02013
74 4W9N TCL 0.005902 0.47777 3.02013
75 5C3R AKG 0.001886 0.47417 3.02013
76 5C3R HMU 0.001886 0.47417 3.02013
77 2VPQ ANP 0.001907 0.45905 3.02013
78 1JS8 MAN MAN BMA 0.0475 0.44051 3.02013
79 3DNT ATP 0.004686 0.43789 3.02013
80 2Q09 DI6 0.02582 0.43435 3.02013
81 5JM8 ATP 0.008439 0.43197 3.02013
82 3AVR OGA 0.03623 0.4305 3.02013
83 4BGB ADP 0.01249 0.42987 3.02013
84 4UWH JXM 0.03066 0.41955 3.02013
85 4U98 ACP 0.03095 0.41619 3.02013
86 5C1P DAL DAL 0.02476 0.40239 3.02013
87 3WMX NAD 0.02029 0.40174 3.02013
88 2YCH ATP 0.03365 0.40092 3.02013
89 3TM0 ANP 0.00499 0.41851 3.04183
90 3TM0 B31 0.005988 0.41305 3.04183
91 2P3I MNA 0.0415 0.40687 3.10559
92 4FE2 ADP 0.04028 0.41647 3.13725
93 4EWN 0VR 0.02402 0.42188 3.16206
94 5H9P TD2 0.0003463 0.54514 3.16456
95 5L9B AKG 0.02222 0.43408 3.1746
96 4BQY FNT 0.0311 0.40758 3.1746
97 4JGP PYR 0.02804 0.43855 3.22581
98 2DDQ HRB 0.03524 0.42306 3.28639
99 3VOT ADP 0.001172 0.5036 3.3557
100 2W5P CL8 0.005484 0.4817 3.3557
101 4GYI ADP 0.003062 0.47627 3.3557
102 5GS9 ARG 0.01009 0.44485 3.3557
103 2OS2 OGA 0.02578 0.44022 3.3557
104 2Q8E OGA 0.02895 0.43716 3.3557
105 5FPE 3TR 0.01827 0.42799 3.3557
106 1OBD AMP 0.02047 0.42745 3.3557
107 1OBD ATP 0.02654 0.42624 3.3557
108 3FW9 SLX 0.02888 0.41187 3.3557
109 2I6A 5I5 0.02704 0.40791 3.3557
110 1YKD CMP 0.04156 0.40671 3.3557
111 1TKK ALA GLU 0.04666 0.40414 3.3557
112 3WG3 A2G GAL NAG FUC 0.0002617 0.54527 3.37079
113 2GQS ADP 0.03526 0.41327 3.37553
114 2OQ2 A3P 0.02728 0.40773 3.44828
115 4REF 3N0 0.0463 0.41319 3.51562
116 3L0E G58 0.01508 0.40738 3.55731
117 1IA9 ANP 0.00006646 0.54134 3.57143
118 4WJT NAG 0.03356 0.41143 3.59281
119 4OCT AKG 0.004185 0.4736 3.6036
120 1LBF 137 0.01691 0.4052 3.64372
121 1CKN GTP 0.005591 0.47145 3.69128
122 1CKM GTP 0.009818 0.43187 3.69128
123 5U7W ADE 0.0371 0.43112 3.69128
124 2VFT SOR 0.02828 0.42833 3.69128
125 2YRX AMP 0.04165 0.42667 3.69128
126 3GDQ ADP 0.006316 0.40791 3.69128
127 5B25 4QJ 0.02659 0.40331 3.69128
128 2ZMF CMP 0.02632 0.41388 3.7037
129 3DZ6 PUT 0.01783 0.4382 3.74532
130 1WW5 SGA BGC 0.01039 0.46167 3.75
131 3SAO NKN 0.02187 0.43446 3.75
132 2D6M LBT 0.007681 0.44903 3.77358
133 5FUI APY 0.03467 0.40982 3.78788
134 5JBX COA 0.04066 0.40447 3.83142
135 1SN0 T44 0.001023 0.50155 3.84615
136 3A6T 8OG 0.01668 0.43001 3.87597
137 4YLZ LAT NAG GAL 0.005121 0.48004 3.92157
138 3TYZ XHP 0.01877 0.41028 3.92857
139 4C5N ACP 0.01948 0.40711 3.98551
140 3TDV GDP 0.00003572 0.56015 4.02685
141 2IO8 ADP 0.0005645 0.47984 4.02685
142 4ANW O92 0.0001721 0.47823 4.02685
143 3G1Z AMP 0.01238 0.44797 4.02685
144 1EHI ADP 0.006433 0.44405 4.02685
145 1ZHX HC3 0.002998 0.44077 4.02685
146 1ZB6 GST 0.004435 0.4254 4.02685
147 1ZB6 DIN 0.006253 0.42154 4.02685
148 4XDA RIB 0.04073 0.41958 4.02685
149 5BU2 ADP 0.04766 0.41251 4.02685
150 3MF2 AMP 0.03167 0.40216 4.02685
151 4O4F ATP 0.02595 0.40146 4.03226
152 4ZSI 4R1 0.0416 0.40953 4.09357
153 1Q23 FUA 0.03094 0.40769 4.10959
154 2BKK ADP 0.006509 0.45886 4.14201
155 1I7E IBS 0.01402 0.45622 4.15094
156 4PEG 5GP 0.04 0.42761 4.16667
157 4DE9 VTP 0.004546 0.42252 4.1958
158 5EPO TUD 0.02951 0.41427 4.19847
159 4Z2S NDG 0.03471 0.42852 4.22535
160 4Z2S NAG 0.03471 0.42852 4.22535
161 4MUV PCG 0.03011 0.41681 4.22535
162 4DSU BZI 0.01066 0.45956 4.2328
163 1UMZ BGC BGC XYS BGC XYS GAL 0.04972 0.41826 4.31655
164 5N8V KZZ 0.04174 0.42258 4.34783
165 3VSV XYS 0.01606 0.44999 4.36242
166 5FXD H7Y 0.01094 0.4394 4.36242
167 3V4S ATP 0.02189 0.4123 4.36242
168 2HZY DHJ 0.03264 0.41204 4.36242
169 2GVJ DGB 0.02608 0.41131 4.36242
170 5C5T AKG 0.02674 0.43349 4.38596
171 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.00169 0.47252 4.42478
172 1YYE 196 0.03606 0.41583 4.47761
173 5KWY C3S 0.0171 0.42946 4.51128
174 1VHZ APR 0.03119 0.43311 4.54545
175 5J75 6GQ 0.04124 0.40973 4.54545
176 4H07 IPH 0.01117 0.40847 4.54545
177 3RGA LSB 0.002912 0.46875 4.59364
178 3B1M KRC 0.03246 0.40411 4.59364
179 4H6B 10Y 0.02576 0.43055 4.61538
180 4H6B 10X 0.03924 0.4241 4.61538
181 2HKA C3S 0.03668 0.40407 4.61538
182 1U0A BGC BGC BGC BGC 0.02301 0.42284 4.6729
183 4OUC 5ID 0.0000000265 0.73482 4.69799
184 3I0O ADP 0.0006824 0.51635 4.69799
185 4OCJ NDG 0.0003073 0.45387 4.69799
186 5NCY 8TK 0.002032 0.43969 4.69799
187 2X3J ATP 0.009718 0.43208 4.69799
188 5F2T PLM 0.01372 0.42484 4.69799
189 1JNQ EGT 0.01935 0.42352 4.69799
190 2J62 GSZ 0.02143 0.40523 4.69799
191 5LY3 ADP 0.04456 0.40248 4.69799
192 4LRJ ANP 0.00003707 0.56523 4.73373
193 3W9R A8S 0.04963 0.41155 4.7619
194 5TWO 7MV 0.02511 0.41211 4.77941
195 2QUN FUD 0.02149 0.42436 4.82759
196 5OO5 UUA 0.01338 0.43492 4.83871
197 4ZOM 4Q3 0.01788 0.42847 4.88889
198 5BU3 4W9 0.005967 0.4391 4.8913
199 1U3R 338 0.04192 0.40652 4.97925
200 4XCB AKG 0.02143 0.44311 4.98084
201 3G58 988 0.04819 0.41553 4.98688
202 2PYW ADP 0.00009714 0.52831 5.03356
203 4OCV ANP 0.0005511 0.49636 5.03356
204 5LUN OGA 0.005741 0.4758 5.03356
205 3SHZ 5CO 0.02514 0.43114 5.03356
206 3BWN PMP 0.03797 0.42127 5.03356
207 4HY1 19X 0.04511 0.42067 5.03356
208 1VA6 ADP 0.005104 0.41366 5.03356
209 3OKP GDD 0.04828 0.4091 5.03356
210 1VA6 P2S 0.005808 0.4073 5.03356
211 4G2R H1L 0.04932 0.40291 5.03356
212 5LUN ARG 0.02447 0.40036 5.03356
213 1M2Z BOG 0.04229 0.42357 5.05837
214 4J8T DOG 0.03074 0.42281 5.10949
215 4O9S 2RY 0.007911 0.42214 5.11628
216 4Y24 TD2 0.0293 0.42748 5.19481
217 2XG5 EC2 0.01239 0.45179 5.20231
218 2XG5 EC5 0.01239 0.45179 5.20231
219 3LDQ 3P1 0.03492 0.40512 5.26316
220 5DZT AMP 0.0008882 0.52286 5.36913
221 3HAV ATP 0.004741 0.48069 5.36913
222 3E0M SER HIS MET ALA GLU ILE 0.02165 0.43864 5.36913
223 3WQT ANP 0.0125 0.42108 5.36913
224 2V58 LZJ 0.00302 0.40445 5.36913
225 4DW4 U5P 0.0417 0.41248 5.38922
226 4ZU4 4TG 0.003343 0.46569 5.40541
227 2ZL7 FUC GAL NGA 0.01035 0.45991 5.42373
228 4WUJ FMN 0.01394 0.42753 5.44218
229 1EPB REA 0.0108 0.43968 5.4878
230 1S17 GNR 0.02938 0.41151 5.55556
231 1DKF BMS 0.023 0.40869 5.5794
232 4IPH 1FJ 0.006565 0.42841 5.69106
233 1NKI PPF 0.00274 0.49408 5.7047
234 3TDC 0EU 0.0009609 0.47083 5.7047
235 1U6R ADP 0.005707 0.45013 5.7047
236 1GP6 DH2 0.004646 0.43516 5.7047
237 1GP6 SIN 0.004646 0.43516 5.7047
238 1GP6 QUE 0.004227 0.43418 5.7047
239 1VRP IOM 0.02786 0.42281 5.7047
240 1U6R IOM 0.02882 0.42023 5.7047
241 5DXI TRE 0.03339 0.41154 5.7047
242 2QXL ATP 0.02814 0.4097 5.7047
243 4R38 RBF 0.0381 0.40327 5.71429
244 3ACL 3F1 0.02104 0.42484 5.74324
245 1QY1 PRZ 0.001692 0.46497 5.74713
246 4PSB GA3 0.004801 0.41471 5.80645
247 2HFN FMN 0.04131 0.40684 5.88235
248 3OYW TDG 0.001002 0.51893 5.97015
249 1SLT NDG GAL 0.001731 0.50224 5.97015
250 1W6P NDG GAL 0.02854 0.42872 5.97015
251 1GZW GAL BGC 0.03009 0.42399 5.97015
252 5XLY C2E 0.0144 0.42998 6.01504
253 5HPY GDP 0.04486 0.40502 6.03448
254 3TII ANP 0.005165 0.46864 6.04027
255 5DXT 5H5 0.011 0.4326 6.04027
256 1SQI 869 0.02247 0.42336 6.04027
257 5C9J DAO 0.04735 0.41596 6.06061
258 2PR5 FMN 0.04018 0.40473 6.06061
259 4XYM A12 0.003696 0.45586 6.08696
260 4EES FMN 0.02771 0.41002 6.08696
261 4U0W 16G 0.03022 0.41374 6.09756
262 4ONT SIA GAL BGC 0.04553 0.4268 6.20155
263 1WBI BTN 0.0302 0.41989 6.20155
264 5DKK FMN 0.0449 0.40232 6.2069
265 3T50 FMN 0.02032 0.41945 6.25
266 1YUC EPH 0.02633 0.40118 6.27451
267 3IX9 MTX 0.02458 0.42803 6.31579
268 2PX8 MGT 0.03028 0.4267 6.3197
269 1PK8 ATP 0.001032 0.46448 6.37584
270 5FI4 5XV 0.01598 0.4135 6.37584
271 2GC0 PAN 0.00929 0.43953 6.38298
272 5E89 TD2 0.002183 0.47512 6.47482
273 5TDF ADP 0.002497 0.46052 6.71141
274 3ETH ATP 0.004849 0.44336 6.71141
275 2IW3 ADP 0.03953 0.4203 6.71141
276 4NSQ COA 0.03208 0.41243 6.84211
277 2CDO GAL AAL GAL AAL GAL AAL 0.0006653 0.49662 6.875
278 4RFR RHN 0.02253 0.41723 6.89655
279 2TPI ILE VAL 0.03273 0.41198 6.89655
280 1DZK PRZ 0.005544 0.45842 7.00637
281 3FAL LO2 0.01525 0.40064 7.02479
282 5DMZ ADP 0.000001235 0.63306 7.04698
283 4AZT LY2 0.001124 0.50458 7.04698
284 4AZW ATP 0.000475 0.49518 7.04698
285 3VYW SAM 0.01335 0.42252 7.04698
286 3T1A 5MA 0.03564 0.40733 7.04698
287 3WV6 GAL BGC 0.006141 0.46174 7.09459
288 3WV6 GAL GLC 0.004573 0.4147 7.09459
289 2QL9 CIT 0.03541 0.42555 7.2165
290 4ELG 52J 0.03041 0.40299 7.22892
291 4QC6 KAN 0.02748 0.41583 7.26257
292 4YGF AZM 0.03397 0.40837 7.26496
293 3WVR AMP 0.001937 0.48218 7.38255
294 5E70 RCD 0.02286 0.44892 7.38255
295 5XQL C2E 0.045 0.44833 7.38255
296 2J5V PCA 0.04419 0.43274 7.38255
297 2A8Y MTA 0.04066 0.40188 7.40741
298 2ZHL NAG GAL GAL NAG 0.02631 0.42645 7.43243
299 1IIU RTL 0.03071 0.40526 7.47126
300 4MA6 28E 0.005472 0.47699 7.64331
301 3HQP FDP 0.04274 0.41843 7.71812
302 3B00 16A 0.04635 0.41316 7.72059
303 2Z6C FMN 0.03085 0.41045 7.75194
304 1J3R 6PG 0.004481 0.47199 7.89474
305 1N5S ADL 0.0001046 0.5423 8.03571
306 1SDW IYT 0.0148 0.43983 8.05369
307 3GL0 HXX 0.02357 0.42901 8.05369
308 5BWD FUM 0.04311 0.42621 8.33333
309 3G3N TC8 0.017 0.43942 8.38926
310 3W0O ADP 0.003525 0.42961 8.38926
311 3W0O HY0 0.003525 0.42961 8.38926
312 4D4U FUC NDG GAL FUC 0.03556 0.42907 8.38926
313 4D52 GXL 0.03499 0.42672 8.38926
314 3JRX S1A 0.04827 0.40339 8.38926
315 3MPB FRU 0.04316 0.41169 8.53659
316 1QFT HSM 0.004409 0.45956 8.57143
317 3E2M E2M 0.005781 0.43089 8.64865
318 4JH6 FCN 0.01559 0.44662 8.69565
319 4PU5 ANP 0.001472 0.46427 8.72483
320 2Q7D ANP 0.007373 0.42349 8.72483
321 1TZD ADP 0.01069 0.45549 8.72727
322 1BHX ASP PHE GLU GLU ILE 0.000813 0.51222 8.84354
323 2VQD AP2 0.001794 0.46743 9.0604
324 4IMO PWZ 0.04292 0.42143 9.09091
325 1TT8 PHB 0.02239 0.40208 9.14634
326 1OGX EQU 0.0145 0.43663 9.16031
327 1N9L FMN 0.04122 0.40418 9.17431
328 2YG2 S1P 0.005043 0.43943 9.30233
329 2YG2 FLC 0.02466 0.4002 9.30233
330 3M3E GAL A2G NPO 0.001476 0.49061 9.31677
331 1W2D ADP 0.01916 0.43761 9.43396
332 5SVV FMN 0.01977 0.41715 9.48905
333 3QRC SCR 0.002815 0.47957 9.55414
334 4XL8 MNA 0.03548 0.43019 9.56938
335 4AGQ P96 0.009209 0.42726 9.58904
336 4XBT FLC 0.01915 0.42375 9.67742
337 4XBT 3ZQ 0.02541 0.41755 9.67742
338 1Z82 NDP 0.01554 0.40457 9.73154
339 4NG2 OHN 0.02723 0.40051 9.78261
340 1X0P FAD 0.02838 0.42132 9.79021
341 1HGX 5GP 0.03859 0.42451 9.83607
342 3VPC ADP 0.0007618 0.48135 9.92908
343 3VPB ADP 0.0004518 0.48057 9.92908
344 2YMZ LAT 0.008042 0.46477 10
345 4BG4 ARG 0.01646 0.45054 10.0671
346 4YSX E23 0.04575 0.42409 10.0671
347 4RLT FSE 0.02256 0.43004 10.1266
348 1ZTH ADP 0.00004378 0.58102 10.4651
349 1ZP9 ATP 0.00003999 0.56972 10.4651
350 4Q5H ANP 0.0000525 0.55181 10.5263
351 4IAW LIZ 0.01285 0.44709 10.6383
352 1GT4 UNA 0.03123 0.41599 10.6918
353 3RE4 TO1 0.0001539 0.55142 10.8527
354 1DBT U5P 0.03921 0.40526 10.8787
355 1TQP ATP 0.00007903 0.51877 10.9929
356 3CV2 OXL 0.04522 0.42069 11.0738
357 3FEI CTM 0.02388 0.40546 11.236
358 4H2X G5A 0.02363 0.4162 11.6505
359 4H2W AMP 0.03363 0.41433 11.6505
360 4H2W 5GP 0.04079 0.40712 11.6505
361 4HBM 0Y7 0.04874 0.40888 11.6667
362 3MN9 ATP 0.04367 0.40036 11.745
363 4WVW SLT 0.000222 0.55436 11.8056
364 2FLI DX5 0.02411 0.4103 11.8182
365 2V0U FMN 0.04076 0.40442 12.3288
366 5NCF 8T5 0.02824 0.43622 12.3894
367 5DJT FMN 0.0362 0.40699 12.4138
368 5DJU FMN 0.03669 0.40407 12.4138
369 4B9Q ATP 0.02417 0.41291 12.4161
370 4FFG LBS 0.03169 0.40854 12.4161
371 4KU7 PCG 0.0007261 0.50945 12.4183
372 5DYO FLU 0.01359 0.45446 12.7358
373 5CKW ANP 0.00008317 0.56591 12.7517
374 1SQK ADP 0.03254 0.41507 12.7517
375 4EFH ADP 0.03215 0.41238 12.7517
376 1KXP ATP 0.02563 0.41168 12.7517
377 2PAV ATP 0.01036 0.40764 12.7517
378 4B1Y ATP 0.02553 0.40656 12.7517
379 4PL8 ATP 0.03505 0.40504 12.7517
380 4B1V ATP 0.03162 0.40465 12.7517
381 2FF3 ATP 0.03943 0.40253 12.7517
382 4PKG ATP 0.04034 0.40205 12.7517
383 2FF6 ATP 0.04272 0.40083 12.7517
384 5IQT AKG 0.03575 0.40462 13.0872
385 5KEW 6SB 0.04393 0.42557 13.1944
386 1RDS GPC 0.0146 0.43648 13.3333
387 4W9H 3JF 0.04179 0.41561 13.5802
388 5NVX 4YY 0.04214 0.41541 13.5802
389 2CM4 RCL 0.01041 0.42764 14
390 5JAX 6J7 0.001257 0.48734 14.0741
391 1S9D AFB 0.01856 0.43837 14.2857
392 1Y2F WAI 0.01832 0.43943 14.3885
393 4R78 AMP 0.00003777 0.5919 14.7651
394 3VV1 GAL FUC 0.000136 0.57631 15
395 2OFE NAG 0.03516 0.42734 15.493
396 2OFD NGA 0.04712 0.41902 15.493
397 1XPJ TLA 0.03828 0.42464 15.873
398 2BYC FMN 0.04348 0.41152 16.0584
399 2GJ5 VD3 0.003441 0.41398 16.6667
400 5EY0 GTP 0.02546 0.43083 16.7883
401 4WW7 AMP 0.00005162 0.53653 17.1123
402 2PUL ACP 0.000483 0.50849 17.1141
403 4DFU QUE 0.005646 0.47621 18.0124
404 5EFW FMN 0.04121 0.40418 18.3333
405 1NU4 MLA 0.005267 0.47842 18.5567
406 4OAV ACP 0.000004764 0.61058 18.7919
407 5LXT ACP 0.007392 0.43171 19.5804
408 4XT2 43L 0.001441 0.46128 19.6581
409 1YRX FMN 0.03215 0.41534 19.8347
410 5M06 ADP 0.00002344 0.58177 19.9275
411 4RYV ZEA 0.008956 0.45563 20
412 4CYI ATP 0.00003898 0.54737 20.1342
413 3LQV ADE 0.01566 0.42654 23.0769
414 5VC5 96M 0.0000000182 0.66434 23.1834
415 3Q60 ATP 0.0003079 0.51844 24.1611
416 4WOV 3SM 0.00001406 0.60032 24.4966
417 4NFN 2KC 0.000005875 0.60595 25.5034
418 4KBA 1QM 0.000006918 0.55239 25.5034
419 5W4W 9WG 0.000007172 0.53863 25.5034
420 3W68 4PT 0.02059 0.44384 25.5639
421 5KO1 6UY 0.00003803 0.56467 25.7951
422 3VHE 42Q 0.000000049 0.63392 26.1745
423 5C03 AGS 0.0000004169 0.6566 26.5101
424 4XH0 ADP 0.0001618 0.56569 28.8591
425 3H9R TAK 0.0000007783 0.68541 30.5369
426 4Y0X ADP 0.00001294 0.59517 30.5369
427 4IDT T28 0.0000001282 0.69049 31.2081
428 4EUU BX7 0.0000001217 0.63445 31.2081
429 4B1X ATP 0.02231 0.4119 31.25
430 4FL3 ANP 0.0000001767 0.6529 31.5436
431 3KRL KRL 0.0000002629 0.64475 31.5436
432 3KMW ATP 0.0002705 0.5213 31.7343
433 3PP0 03Q 0.0000003435 0.61457 31.8792
434 5T8O 76Z 0.0000005263 0.63722 32.5503
435 5HCY 60D 0.000002167 0.51808 32.5503
436 4YMJ 4EJ 0.0000001298 0.74754 32.8859
437 3UIM ANP 0.00000004312 0.70578 32.8859
438 5JFS 6K0 0.00000008008 0.58133 32.8859
439 4P5Z Q7M 0.0000008898 0.55034 32.8859
440 4E93 GUI 0.000004063 0.54462 32.8859
441 5KMJ 6UF 0.001438 0.46131 32.8859
442 1U59 STU 0.00000002173 0.72063 33.101
443 4Y93 746 0.0000001308 0.63918 33.2215
444 4CLI 5P8 0.0000002846 0.45614 33.2215
445 2R5T ANP 0.000000003454 0.73355 33.557
446 4Y8D 49J 0.00000006742 0.69609 33.557
447 1K3A ACP 0.0000006816 0.67005 33.557
448 3NW7 LGV 0.0000004778 0.45613 33.557
449 3LXK MI1 0.000000001279 0.71438 33.8926
450 5TA6 79D 0.0000001595 0.62343 33.8926
451 4AT3 LTI 0.0000003502 0.598 33.8926
452 5EOB 5QQ 0.00000001734 0.51205 33.8926
453 3C1X CKK 0.0001804 0.51088 33.8926
454 5UIU 8CG 0.0000002067 0.41875 33.8926
455 4YZN 4K5 0.00000001314 0.69845 34.1463
456 4OH4 ANP 0.00000006957 0.69541 34.2282
457 1JPA ANP 0.000001631 0.6611 34.2282
458 5LPZ ADP 0.0000003719 0.65908 34.2282
459 1VJY 460 0.00000001096 0.64946 34.2282
460 2QLU ADE 0.000008038 0.63843 34.2282
461 2X2M X2M 0.0000004556 0.63349 34.2282
462 5LPB ADP 0.000000346 0.695 34.4595
463 3LXN MI1 0.000000001313 0.76231 34.5638
464 4GJ3 0XP 0.0000000009678 0.69894 34.5638
465 2XVD AS6 0.0000005834 0.59375 34.5638
466 5NKB 8ZT 0.0000002438 0.55947 34.5638
467 5HES 032 0.0000000404 0.40171 34.5638
468 2HY0 306 0.00000001177 0.76354 34.8993
469 5HX8 66P 0.000000000473 0.74074 34.8993
470 1U5R ATP 0.0000002508 0.66762 34.8993
471 3KRR DQX 0.0000000004101 0.57887 34.9153
472 2Y6O 1N1 0.000002291 0.60037 35.0515
473 4X7Q 3YR 0.000000126 0.68253 35.2349
474 4I94 ANP 0.0000007287 0.65208 35.3333
475 5TO8 7FM 0.00000009895 0.5822 35.461
476 5MJA 7O3 0.000003453 0.62497 35.5705
477 3BU5 ATP 0.000002232 0.62024 35.5705
478 5U6C 7YS 0.000001589 0.60788 35.5705
479 3EKK GS2 0.00000006885 0.59716 35.5705
480 4E1Z 0MX 0.000000003702 0.72396 35.7388
481 3PLS ANP 0.0000006651 0.6541 36.2416
482 1BYG STU 0.00000003875 0.72625 36.3309
483 3V8S 0HD 0.000000003836 0.76805 36.5772
484 5HVJ ANP 0.0000006496 0.70965 36.5772
485 3SLS ANP 0.0000001243 0.66011 36.5772
486 1ZY5 ANP 0.000001631 0.63427 36.5772
487 3SLS 77D 0.00001126 0.58518 36.5772
488 5USZ SKE 0.0000000892 0.63438 36.6782
489 2QCS ANP 0.0000000216 0.66756 36.9128
490 3FHI ANP 0.00000004131 0.65514 36.9128
491 3IDB ANP 0.0000001167 0.65446 36.9128
492 2WQN ADP 0.000002552 0.63964 36.9128
493 5JGA 6KC 0.00000004795 0.62331 36.9128
494 4QMN DB8 0.0000007925 0.56042 36.9128
495 2GU8 796 0.0000001475 0.52516 36.9128
496 4XLI 1N1 0.0000008722 0.64811 36.9403
497 4EWH T77 0.000000123 0.62833 37.0909
498 3CY2 MB9 0.000001256 0.60661 37.2483
499 4WB7 ATP 0.0000009873 0.55669 37.2483
500 2PZI AXX 0.0001852 0.54093 37.2483
501 4N70 2HX 0.00000258 0.50292 37.2483
502 5LI1 ANP 0.00000003161 0.68818 37.5839
503 4WB6 ATP 0.00000003513 0.65824 37.5839
504 4U0I 0LI 0.00000003239 0.63578 37.5839
505 4K33 ACP 0.000001561 0.6211 37.5839
506 4RFM 3P6 0.0000005413 0.52584 37.594
507 4A4X JUP 0.00001031 0.54943 37.6344
508 5FBN 5WF 0.000000008389 0.64297 37.6384
509 2H8H H8H 0.0000002271 0.66977 37.9195
510 2PVF ACP 0.000000779 0.6506 37.9195
511 3RI1 3RH 0.000002511 0.57648 37.9195
512 3ORK AGS 0.000004931 0.56852 37.9195
513 1Y57 MPZ 0.00001448 0.55737 37.9195
514 1OPK P16 0.00000002182 0.64289 38.255
515 5JKG 6LF 0.00000001666 0.61599 38.255
516 2A19 ANP 0.00001676 0.60364 38.3803
517 5MY8 RXZ 0.00008512 0.51307 38.9262
518 3SRV S19 0.00000007987 0.70094 38.9892
519 3G5D 1N1 0.00000002824 0.54772 39.5105
520 4F4P 0SB 0.0000002287 0.51035 39.5604
521 3GQI ACP 0.0000006735 0.64621 39.5973
522 4Y85 499 0.000001826 0.63177 39.5973
523 3GNI ATP 0.000001006 0.62369 39.5973
524 5UR1 YY9 0.00000001648 0.59774 39.5973
525 2OO8 RAJ 0.00005226 0.53628 39.5973
526 5H2U 1N1 0.000006473 0.59717 39.7004
527 4G31 0WH 0.0000000008991 0.68751 39.9329
528 3E8N ATP 0.000000006488 0.6034 39.9329
529 3E8N VRA 0.000000006488 0.6034 39.9329
530 5DA3 58V 0.000001312 0.66361 40
531 4AG8 AXI 0.000000005495 0.64479 40.2685
532 4ASE AV9 0.0000001846 0.62067 40.2685
533 4ITH RCM 0.000001423 0.61014 40.4762
534 4I6H 1C8 0.00000142 0.63004 40.604
535 4B1W ATP 0.02868 0.40419 40.625
536 4XV1 904 0.000000005828 0.65487 40.7534
537 4M69 ANP 0.0000000455 0.68831 41.2752
538 5VCV 1N1 0.0000001007 0.65072 41.2752
539 3BZ3 YAM 0.0000003152 0.5148 41.3043
540 4L9I 8PR 0.000004006 0.61441 41.9463
541 4TWP AXI 0.00000003383 0.57823 42.0664
542 3OLL EST 0.02201 0.42383 42.1053
543 5N87 N66 0.000000005066 0.64616 42.6175
544 4CQE CQE 0.0000004854 0.63218 42.8058
545 3HMO STU 0.00000001403 0.73939 42.953
546 3VRY B43 0.00000002074 0.67504 42.953
547 4BHN BH9 0.0000001031 0.67123 43.2886
548 3ALN ANP 0.0000002877 0.64982 43.2886
549 5IH9 6BF 0.00000002351 0.62012 43.6242
550 4YZC STU 0.0000000002641 0.50959 43.6242
551 4D2S DYK 0.00000000651 0.77719 43.662
552 4BKJ STI 0.00001209 0.55106 43.9597
553 3QCQ 3Q0 0.0000000009942 0.50945 43.9597
554 5LVP ATP 0.0000008053 0.66621 44.2953
555 4CSV STI 0.0000003582 0.63187 44.3636
556 4JDI ANP 0.0000001633 0.66164 44.9664
557 2OFV 242 0.00000009788 0.59591 45.1264
558 2X4Z X4Z 0.00000001778 0.63004 45.2703
559 4BFM ANP 0.0000003436 0.64611 45.302
560 3PVW QRX 0.0000005008 0.60736 45.302
561 2F57 23D 0.00001021 0.60053 45.6376
562 4WNK 453 0.000001038 0.57815 45.6376
563 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.000001415 0.4916 45.9732
564 2JDR L20 0.000001415 0.4916 45.9732
565 5DRB 5FJ 0.000000005414 0.60181 46.3918
566 4F9C 0SX 0.0000001102 0.69383 47.3154
567 2HK5 1BM 0.000003899 0.59542 47.4074
568 2ZV2 609 0.0000001604 0.7131 47.9866
569 1Q8Y ADE 0.000001654 0.66725 48.3221
570 1Q8Y ADP 0.000001163 0.62067 48.3221
571 3SXS PP2 0.000001059 0.62261 48.5075
572 5UOX 8GY 0.0000001285 0.65943 48.7085
573 5DEY 59T 0.0000001734 0.52922 49.1582
574 5X8I SQZ 0.0000001247 0.68276 49.3289
575 3IGO ANP 0.00000007751 0.66979 49.3289
576 3SXF BK5 0.000000008364 0.64303 49.3289
577 4C2V YJA 0.000000007527 0.66814 49.4737
578 2WU6 DKI 0.0000002376 0.64014 49.6644
579 3HZT J60 0.0000002331 0.7043 50
580 3ET3 ET1 0.03497 0.40509 50
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