Receptor
PDB id Resolution Class Description Source Keywords
4I6Q 1.85 Å EC: 2.7.10.2 JAK3 KINASE DOMAIN IN COMPLEX WITH 2-PHENOXY-5H-PYRROLO[2,3- B]PYRAZINE-7-CARBOXYLIC ACID ((S)-1-CYCLOPROPYL-ETHYL)-AMID HOMO SAPIENS KINASE-INHIBITOR COMPLEX TRANSFERASE-TRANSFERASE INHIBITOR
Ref.: DISCOVERY OF A SERIES OF NOVEL 5H-PYRROLO[2,3-B]PYRAZINE-2-PHENYL ETHERS, AS POTEN KINASE INHIBITORS. BIOORG.MED.CHEM.LETT. V. 23 2522 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PHU A:1201;
Valid;
none;
submit data
136.151 C7 H8 N2 O c1ccc...
1DT A:1202;
Valid;
none;
ic50 = 0.03 uM
322.361 C18 H18 N4 O2 CC(C1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LXK 2 Å EC: 2.7.10.2 STRUCTURAL AND THERMODYNAMIC CHARACTERIZATION OF THE TYK2 AN KINASE DOMAINS IN COMPLEX WITH CP-690550 AND CMP-6 HOMO SAPIENS TYK2 JAK3 INFLAMMATION CANCER PAN INHIBITOR ATP-BINDINGMUTATION KINASE MEMBRANE NUCLEOTIDE-BINDING PHOSPHOPROTSCID SH2 DOMAIN TRANSFERASE TYROSINE-PROTEIN KINASE
Ref.: STRUCTURAL AND THERMODYNAMIC CHARACTERIZATION OF TH AND JAK3 KINASE DOMAINS IN COMPLEX WITH CP-690550 A J.MOL.BIOL. V. 400 413 2010
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 3PJC ic50 = 27 nM PJC C22 H16 F3 N5 O3 c1ccc2c(c1....
2 4HVH ic50 = 19 nM 19R C15 H20 N4 O2 CC(C(C)(C)....
3 3ZEP ic50 = 0.022 uM 1NX C23 H25 N5 O3 CC(C1CC1)N....
4 4I6Q ic50 = 0.03 uM 1DT C18 H18 N4 O2 CC(C1CC1)N....
5 3LXK Ki = 0.2 nM MI1 C16 H20 N6 O CC1CCN(CC1....
6 3ZC6 ic50 = 0.6 nM VFC C22 H19 F N8 O2 CC(C(=O)N1....
7 4HVD ic50 = 1.4 nM 933 C16 H22 N4 O CC(C(C)(C)....
8 3LXL - IZA C18 H16 F N3 O CC(C)(C)c1....
9 4HVI ic50 = 68.9 nM 19S C18 H23 N5 O2 CC(C(=O)N1....
70% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 3EYG ic50 = 1.6 nM MI1 C16 H20 N6 O CC1CCN(CC1....
2 3LPB ic50 = 42 nM NVB C24 H23 N3 O5 S CNS(=O)(=O....
3 4E4M Ki = 11 nM 0NH C15 H19 N5 O2 S CC1(CCN(CC....
4 4HGE Ki = 11.9 nM 15V C17 H13 Cl N6 O Cc1cc(n(n1....
5 2B7A ic50 = 1 nM IZA C18 H16 F N3 O CC(C)(C)c1....
6 3E63 ic50 = 1.6 uM 5B2 C13 H11 N3 c1ccc(cc1)....
7 4GFM Ki = 0.06 uM 0X2 C12 H8 Cl2 N2 O2 c1cc(c(c(c....
8 2XA4 ic50 < 0.003 uM AZ5 C14 H14 Cl F N8 Cc1cc([nH]....
9 3Q32 ic50 = 0.0018 uM J2I C23 H24 F2 N8 O2 Cc1cc([nH]....
10 3FUP ic50 = 21.7 nM MI1 C16 H20 N6 O CC1CCN(CC1....
11 4JI9 - 1M3 C26 H35 N7 O2 S Cc1cnc(nc1....
12 3JY9 Ki = 0.001 uM JZH C21 H15 N3 O2 c1ccc2c(c1....
13 3RVG ic50 = 5 nM 17P C22 H24 N6 O Cn1cc(cn1)....
14 3UGC - 046 C28 H30 F3 N7 O3 CC(=O)Nc1c....
15 3E62 ic50 = 40.9 uM 5B1 C7 H6 Br N3 c1cc2c(cc1....
16 3TJC ic50 = 0.031 uM 0TP C19 H20 N4 O2 S CNC(=O)c1c....
17 4IVA - 1J5 C17 H19 N5 O CC(c1nc2cn....
18 4D0X ic50 = 0.008 uM 953 C16 H11 Cl F3 N5 O c1cc(c(cc1....
19 4GMY Ki = 0.028 uM 0X5 C16 H13 Cl2 N3 O2 c1cc(c(c(c....
20 3IOK Ki = 0.0002 uM 1P6 C18 H16 F N7 CC(c1ccc(c....
21 4D0W ic50 = 0.02 uM VVQ C16 H14 Cl N5 O Cc1ccc(cc1....
22 4C61 ic50 = 0.004 uM LMM C17 H17 F N8 S Cc1csc2c1n....
23 4P7E - 2HB C21 H23 N5 O3 S c1cc(n2c(c....
24 3KRR ic50 = 0.48 nM DQX C27 H28 F2 N6 O c1cc(c2c(c....
25 4F09 Ki = 10 nM JAK C14 H17 N5 Cc1nc2cnc3....
26 4JIA Ki = 0.0006 uM 1K3 C24 H26 N6 O CN1CCN(CC1....
27 4D1S ic50 = 0.022 uM BJG C28 H30 Cl N7 O Cc1ccc(cc1....
28 4AQC ic50 = 0.9 nM 88A C23 H23 N5 O3 S CS(=O)(=O)....
29 3KCK Ki = 0.0008 uM 3KC C20 H12 Cl N3 O c1ccc2c(c1....
30 3E64 ic50 = 0.078 uM 5B3 C17 H20 N4 O2 S CC(C)(C)NS....
31 3EYH ic50 = 20 nM IZA C18 H16 F N3 O CC(C)(C)c1....
32 3PJC ic50 = 27 nM PJC C22 H16 F3 N5 O3 c1ccc2c(c1....
33 4HVH ic50 = 19 nM 19R C15 H20 N4 O2 CC(C(C)(C)....
34 3ZEP ic50 = 0.022 uM 1NX C23 H25 N5 O3 CC(C1CC1)N....
35 4I6Q ic50 = 0.03 uM 1DT C18 H18 N4 O2 CC(C1CC1)N....
36 3LXK Ki = 0.2 nM MI1 C16 H20 N6 O CC1CCN(CC1....
37 3ZC6 ic50 = 0.6 nM VFC C22 H19 F N8 O2 CC(C(=O)N1....
38 4HVD ic50 = 1.4 nM 933 C16 H22 N4 O CC(C(C)(C)....
39 3LXL - IZA C18 H16 F N3 O CC(C)(C)c1....
40 4HVI ic50 = 68.9 nM 19S C18 H23 N5 O2 CC(C(=O)N1....
50% Homology Family (417)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 1YWN ic50 ~ 0.003 uM LIF C27 H19 F4 N5 O3 COc1ccc(cc....
2 2OH4 ic50 = 3.5 nM GIG C23 H17 F4 N5 O4 COC(=O)Nc1....
3 4AG8 Ki = 1.1 nM AXI C22 H18 N4 O S CNC(=O)c1c....
4 3CJF ic50 = 6.3 nM SAV C21 H22 N6 O3 Cc1c2ccc(c....
5 3U6J - 03X C29 H25 F N4 O5 CC1=C(C(=O....
6 3CPC - C52 C21 H15 F3 N4 O CC1=C(C(=O....
7 3EWH ic50 = 69 nM K11 C28 H20 F3 N7 O CNc1nccc(n....
8 3CJG - KIM C22 H24 N6 O3 Cc1c2ccc(c....
9 3VO3 ic50 = 1.4 nM 0KF C22 H21 N7 O3 Cc1cc(n(n1....
10 3VNT ic50 = 2.2 nM 0JA C27 H19 Cl F N5 O3 S c1cc(c(c(c....
11 3C7Q ic50 = 21 nM XIN C31 H33 N5 O4 CN1CCN(CC1....
12 1Y6B ic50 = 38 nM AAX C25 H24 N4 O4 S COc1ccc(cc....
13 3VHE ic50 = 6.2 nM 42Q C21 H15 F4 N5 O2 Cn1ccc2c1c....
14 1Y6A ic50 = 0.022 uM AAZ C23 H21 N3 O4 S CCS(=O)(=O....
15 3IK3 ic50 = 2 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
16 3QRJ ic50 = 4 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
17 3UE4 - DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
18 3OY3 ic50 = 35.8 nM XY3 C29 H31 F3 N6 O3 Cc1ccc(cc1....
19 2E2B ic50 = 11 nM 406 C30 H31 F3 N8 O Cc1ccc(cc1....
20 2V7A Kd = 0.005 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
21 2G2H Ki ~ 1 uM P16 C21 H16 Cl2 N4 O2 CN1c2c(cnc....
22 3QRI ic50 = 0.8 nM 919 C30 H28 F N7 O3 CC(C)(C)c1....
23 1FPU Ki = 37 nM PRC C22 H18 N6 O Cc1ccc(cc1....
24 3PYY - 3YY C18 H13 F N4 O2 c1ccc(cc1)....
25 1OPJ - MYR C14 H28 O2 CCCCCCCCCC....
26 3CS9 ic50 < 33 uM NIL C28 H22 F3 N7 O Cc1ccc(cc1....
27 3MSS - STI C29 H31 N7 O Cc1ccc(cc1....
28 3OXZ ic50 = 8.6 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
29 3KFA ic50 = 25 nM B91 C29 H25 F3 N8 O Cc1ccc(cc1....
30 3MS9 - MS9 C8 H8 Cl N O2 COC(=O)c1c....
31 2GQG - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
32 2QOH - P3Y C22 H20 N4 O2 CN(C)C(=O)....
33 2HYY ic50 = 170 nM STI C29 H31 N7 O Cc1ccc(cc1....
34 2HZI ic50 = 70 nM JIN C21 H15 Cl2 F N4 O Cc1cc(ccc1....
35 3KF4 ic50 < 0.5 nM B90 C23 H22 N7 O P Cc1ccc2c(c....
36 3K5V - STI C29 H31 N7 O Cc1ccc(cc1....
37 2HZ0 ic50 = 330 nM GIN C23 H22 F3 N3 O2 CCCc1ccc(c....
38 1IEP ic50 = 100 nM STI C29 H31 N7 O Cc1ccc(cc1....
39 2F4J - VX6 C23 H28 N8 O S Cc1cc([nH]....
40 3QRK ic50 = 57 nM 9DP C24 H25 Cl2 N5 O3 CC(C)(C)c1....
41 2HIW ic50 = 8 nM 7MP C22 H18 F3 N6 O2 Cc1ccc(cc1....
42 2Z60 - P3Y C22 H20 N4 O2 CN(C)C(=O)....
43 3BZ3 ic50 = 1.5 nM YAM C21 H20 F3 N7 O3 S CN(c1c(ccc....
44 4GU9 Kd = 43 uM 4GU C11 H8 F N5 c1ccc(c(c1....
45 1MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
46 4EBV ic50 = 0.99 uM 0O7 C18 H17 N3 O2 S CCc1ccc(cc....
47 2JKO ic50 = 7.7 nM BIJ C25 H28 Cl N7 O2 CN1CCN(CC1....
48 4I4E ic50 = 0.5 uM 1BQ C24 H26 N4 O4 S CN1c2ccc(c....
49 2JKK ic50 = 6.24 nM BI9 C23 H25 Cl N6 O3 CNC(=O)c1c....
50 2J0L - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
51 4I4F ic50 = 0.64 uM 1BR C22 H26 N4 O2 S CC(C)(C)c1....
52 4K9Y Kd = 0.111 uM K9Y C26 H27 N9 O Cc1ccc(cc1....
53 4Q9S ic50 = 156 uM 30G C10 H9 N3 O2 c1ccc2c(c1....
54 4BRX ic50 = 0.32 uM KGW C22 H25 N7 O3 CNC(=O)c1c....
55 4GU6 Kd = 44 nM 10N C22 H20 N6 O2 S CN(c1c(ccc....
56 4KAO Kd = 0.77 uM KAO C26 H27 N5 O Cc1ccc(cc1....
57 2JKM ic50 = 17.76 nM BII C25 H32 Cl N7 O3 S CC(C)NS(=O....
58 4C7T ic50 = 0.14 uM 5RI C20 H22 N6 O4 CNC(=O)c1c....
59 4CKR ic50 = 105 nM DI1 C30 H31 F3 N4 O3 CCN1CCN(CC....
60 3FQH ic50 = 0.57 uM 057 C21 H22 N4 O2 CC(C)(CO)N....
61 3FQS ic50 = 0.041 uM 585 C22 H23 F N6 O5 CC1(C(=O)N....
62 3TUC ic50 = 100 nM FPW C29 H24 N4 O5 COc1cc2c(c....
63 4DFL ic50 = 2.4 uM 0K0 C18 H24 N6 O3 S CS(=O)(=O)....
64 1XBC ic50 = 0.012 uM STU C28 H26 N4 O3 CC12C(C(CC....
65 4PUZ ic50 = 7.7 nM CG9 C23 H21 N7 O c1cc(ccc1N....
66 4I0R ic50 = 14 nM 1B4 C19 H22 N4 O4 CC(C)NC(=O....
67 3TUB ic50 = 320 nM FPU C26 H24 N4 O4 COc1cc2c(c....
68 1XBB Ki = 5 uM STI C29 H31 N7 O Cc1ccc(cc1....
69 4F4P ic50 = 0.6 nM 0SB C21 H20 F3 N5 c1cc(cc(c1....
70 4PV0 Kd = 4 nM CG4 C28 H23 N5 O5 COc1ccc(cc....
71 4FYO ic50 = 47 nM 0VF C25 H24 N6 O5 S COc1ccc(cc....
72 3FQE Ki = 0.02 uM P5C C18 H24 N6 O Cc1cccc(c1....
73 4FYN - 0VE C22 H23 N5 O2 CCN(CCO)c1....
74 4I0T ic50 = 26 nM 1B6 C18 H22 N6 O CC(C)(C)NC....
75 3VF8 ic50 = 150 nM 0JE C17 H21 F N6 O2 CCN(CC)C(=....
76 4FL1 Kd = 520 uM ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
77 4PX6 ic50 = 4 nM 2X6 C21 H23 N7 O c1cc2cc[nH....
78 3TUD ic50 = 2.1 nM FPX C29 H22 F3 N5 O2 Cc1ccc(cc1....
79 4FZ6 ic50 = 127 nM 0VG C22 H22 N6 CC1CCCN1c2....
80 4DFN ic50 = 0.04 uM 0K1 C25 H28 N6 O2 Cn1cc(cn1)....
81 4I0S ic50 = 36 nM 1B5 C18 H17 Cl N6 O CC(C)NC(=O....
82 3VF9 ic50 = 358.2 nM 477 C19 H19 F2 N3 O S CCC(CC)(c1....
83 2C0I - L1G C33 H39 N9 O2 Cn1c2ccccc....
84 3VRZ - VRZ C25 H26 N6 O c1ccc(cc1)....
85 3VS1 - VSA C24 H24 N6 O c1ccc(cc1)....
86 3VS6 - VSH C20 H26 N6 O3 CC(C)n1c2c....
87 1QCF - PP1 C16 H19 N5 Cc1ccc(cc1....
88 3VRY ic50 = 7.7 nM B43 C23 H22 N4 O c1ccc(cc1)....
89 3VS3 - VSE C29 H34 N6 O CN1CCN(CC1....
90 3B2T - M33 C11 H17 N5 O9 P2 CP(=O)(O)O....
91 1OEC - AA2 C25 H30 Cl N5 O CC(C)(c1cc....
92 4J96 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
93 2PWL - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
94 2PZP - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
95 4J98 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
96 2PVY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
97 3CLY - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
98 3RI1 ic50 = 1.23 uM 3RH C18 H15 N3 c1ccc(cc1)....
99 2PY3 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
100 2PZ5 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
101 4FOC ic50 = 0.003 uM 0UU C28 H34 N4 O3 COC(=O)C1C....
102 3EYG ic50 = 1.6 nM MI1 C16 H20 N6 O CC1CCN(CC1....
103 4ANQ ic50 = 605 nM VGH C21 H22 Cl2 F N5 O CC(c1c(ccc....
104 4BB4 - 32W C23 H21 N5 O2 COCCNC(=O)....
105 2VWW ic50 = 0.24 uM 7X2 C20 H19 Cl N4 O5 COc1cc(cc(....
106 2XVD ic50 = 0.002 uM AS6 C26 H33 N5 O4 S Cc1ccc(cc1....
107 2VX1 ic50 = 0.22 uM 7X8 C18 H14 Cl N5 O3 c1cc(cc(c1....
108 2VWZ ic50 = 0.794 uM 7X6 C18 H16 Cl N5 O4 S CS(=O)(=O)....
109 2YN8 - STU C28 H26 N4 O3 CC12C(C(CC....
110 2VWV ic50 = 16 uM 7X3 C19 H20 Cl N5 O4 COc1ccc(cc....
111 2VX0 ic50 = 0.58 uM 7X7 C21 H20 Cl N5 O3 c1cc(cc(c1....
112 2VWY ic50 = 0.09 uM 7X5 C18 H15 Cl N4 O4 S CS(=O)(=O)....
113 4AW5 ic50 = 765 nM 30K C30 H31 N5 O2 CCN1CCC(CC....
114 2X9F ic50 = 0.061 uM X9F C18 H16 N6 O2 S CS(=O)(=O)....
115 2VWU ic50 = 0.35 uM 7X1 C24 H27 Cl N4 O4 COc1cc2c(c....
116 2VWX ic50 = 0.04 uM 7X4 C17 H14 Cl N5 O4 S c1cc(cc(c1....
117 3ZEW - STU C28 H26 N4 O3 CC12C(C(CC....
118 4F1T - H52 C16 H21 N3 O2 S Cc1cncc2c1....
119 1QPC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
120 2OFV ic50 = 0.2 nM 242 C23 H17 F3 N4 O Cc1ccc(cc1....
121 2OFU ic50 ~ 3 uM 1N9 C37 H46 N6 O7 Cc1cccc(c1....
122 2OF2 ic50 = 0.081 uM 547 C25 H26 N4 O c1ccc(cc1)....
123 3KXZ ic50 = 0.035 uM 925 C28 H32 N6 O3 CC1(CC(CC(....
124 3BYS ic50 = 0.5 nM AM5 C31 H30 F3 N7 O2 Cc1ccc(cc1....
125 3MPM ic50 = 30 nM 5LK C23 H26 N6 O CN1CCN(CC1....
126 3B2W ic50 = 0.6 nM 9NH C31 H29 F4 N7 O3 Cc1ccc(cc1....
127 1QPJ - STU C28 H26 N4 O3 CC12C(C(CC....
128 3BYO ic50 = 7 nM AM9 C31 H30 N8 O Cc1cccc(c1....
129 2OG8 ic50 = 0.5 nM 1N8 C30 H31 F3 N6 O2 CCN(CC)CC(....
130 1QPE ic50 = 20 nM PP2 C15 H17 Cl N5 CC(C)(C)n1....
131 3BYU ic50 = 0.8 nM AM6 C32 H32 F3 N7 O2 Cc1ccc(cc1....
132 1QPD - STU C28 H26 N4 O3 CC12C(C(CC....
133 4C3F - 7KW C19 H15 N5 c1ccc(cc1)....
134 3BYM ic50 = 0.006 uM AM0 C25 H23 N7 O3 COc1cc(cc(....
135 2ZM1 ic50 = 220 nM KSF C18 H13 Cl N4 c1ccc(cc1)....
136 3DKC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
137 4DEG ic50 = 6 nM 0JJ C19 H16 N8 O S Cc1cc(sn1)....
138 4GG5 ic50 = 0.93 nM 0J3 C22 H22 F3 N5 O2 CN1CCN(CC1....
139 3R7O - M61 C28 H32 N6 O5 S CN(CC1COCC....
140 4AP7 Ki = 0.011 uM F47 C17 H12 F N5 O c1cc(ccc1C....
141 3DKG - SX8 C18 H13 N7 S Cn1cc(cn1)....
142 3Q6W Kd = 27 nM Q6W C31 H30 N6 O2 c1ccnc(c1)....
143 3CD8 ic50 = 9 nM L5G C22 H17 N5 O2 COc1ccc2c(....
144 3ZXZ Ki = 0.005 uM KRW C19 H16 N8 O c1cc2cc(cc....
145 4EEV ic50 = 42 nM L1X C30 H22 F2 N6 O3 CC1=CC=C(C....
146 3RHK ic50 = 520 nM M97 C23 H16 N3 O2 c1ccc2c(c1....
147 4GG7 ic50 = 6.5 nM 0J8 C23 H21 F3 N8 O2 c1cc(cc(c1....
148 3ZZE Ki = 0.0013 uM 6XP C18 H18 Cl N3 O3 Cc1ccc(c2c....
149 3DKF ic50 = 4 nM SX8 C18 H13 N7 S Cn1cc(cn1)....
150 3U6I - 044 C30 H27 F N4 O5 CC1=C(C(=O....
151 4DEI ic50 = 1 nM 0JL C23 H22 N6 O3 S Cc1cc(sn1)....
152 3CTJ ic50 = 0.11 uM 320 C22 H16 F2 N4 O3 c1cc(ccc1C....
153 3QTI ic50 = 14 nM 3QT C20 H16 N6 Cn1cc(cn1)....
154 3CCN ic50 = 120 nM LKG C18 H14 N4 O c1ccc(cc1)....
155 3F66 ic50 = 0.9 uM IHX C20 H19 F3 N4 O CN1CCN(CC1....
156 2WD1 ic50 = 82 nM ZZY C14 H10 N4 O5 S c1ccc(c(c1....
157 3CE3 ic50 = 1.8 nM 1FN C25 H16 F2 N4 O3 c1cc(ccc1N....
158 2WKM ic50 = 9 nM PFY C32 H34 Cl2 N4 O4 S Cc1c([nH]c....
159 3I5N ic50 = 17 nM B2D C21 H17 N7 O COc1cc2c(c....
160 3LQ8 ic50 = 0.4 nM 88Z C34 H34 F2 N4 O6 COc1cc2c(c....
161 3ZCL Ki = 0.0101 uM 5TF C17 H19 N7 CC(C)Nc1cc....
162 4FOB ic50 = 0.005 uM 0US C30 H39 N5 O4 S C=CCNS(=O)....
163 4CQE Kd < 3 nM CQE C30 H28 F3 N5 O3 S2 CC(=O)Nc1c....
164 3OG7 - 032 C23 H18 Cl F2 N3 O3 S CCCS(=O)(=....
165 4GK3 - L87 C19 H21 N5 O2 CCCCn1c(cn....
166 4GK4 - L90 C20 H21 N7 O2 CCCCn1c(cn....
167 3FY2 - LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP n/a n/a
168 3FXX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
169 2QO7 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
170 4P5Q - Q0B C22 H22 Cl N5 O2 CCOCCCNC(=....
171 4P4C - 25Q C18 H15 N5 O2 COc1cccc(c....
172 2QOC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
173 4P5Z Kd = 39.3 nM Q7M C25 H18 F3 N7 O2 c1ccc2c(c1....
174 4GK2 - L66 C22 H19 N5 O4 Cc1ccc(cc1....
175 2QO9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
176 2QOQ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
177 2XBA Ki = 23.68 nM 571 C25 H27 N6 O3 CN1CCN(CC1....
178 3LCS - STU C28 H26 N4 O3 CC12C(C(CC....
179 2XB7 Ki = 0.65 nM GUI C30 H40 Cl N7 O3 S CC(C)S(=O)....
180 2XP2 - VGH C21 H22 Cl2 F N5 O CC(c1c(ccc....
181 4FOD ic50 = 0.0012 uM 0UV C33 H44 F N5 O3 CC(C)NC(=O....
182 4FNY ic50 = 0.256 uM I3K C24 H18 Cl N3 O4 COc1cc2c(c....
183 3AOX Kd = 2.4 nM EMH C30 H34 N4 O2 CCc1cc2c(c....
184 1U59 ic50 = 55.8 nM STU C28 H26 N4 O3 CC12C(C(CC....
185 3U6H Ki = 1 nM 03X C29 H25 F N4 O5 CC1=C(C(=O....
186 1R0P Kd = 10 nM KSA C27 H21 N3 O5 CC12C(CC(O....
187 2RFS - AM8 C23 H22 Cl N3 O3 S Cc1c(c([nH....
188 3CTH ic50 = 0.035 uM 319 C20 H16 F2 N4 O3 c1cc(ccc1C....
189 3VW8 - DF6 C26 H23 N3 O4 S COc1cc2c(c....
190 3L8V ic50 = 0.008 uM L8V C23 H16 F3 N5 O2 c1cc(c(nc1....
191 4PMM ic50 = 662 nM 31V C27 H26 N8 O2 Cc1cn(cn1)....
192 1OPK - MYR C14 H28 O2 CCCCCCCCCC....
193 2FO0 - P16 C21 H16 Cl2 N4 O2 CN1c2c(cnc....
194 4CCU - AWF C22 H23 F N6 O2 S Cc1c(sc(n1....
195 3D94 ic50 = 118 nM D94 C30 H31 N7 CN1CCN(CC1....
196 3O23 ic50 = 0.5 uM MQY C21 H16 F3 N3 O4 S CC1C(=O)N(....
197 3NW6 ic50 = 7 nM LGW C22 H21 F N8 O c1cc2c(nc(....
198 2OJ9 ic50 = 0.39 uM BMI C22 H19 N7 O Cc1cc(cc2c....
199 3I81 ic50 = 13 nM EBI C23 H24 F N9 O CC1(CCCN1c....
200 3NW5 ic50 = 8400 nM LGX C22 H21 F N8 O c1cc2c(nc(....
201 1JQH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
202 3NW7 ic50 = 5.3 nM LGV C19 H17 F N8 O c1cc2c(nc(....
203 4F1O - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
204 4AT3 ic50 = 0.004 uM LTI C16 H18 N4 O2 S2 c1ccc2c(c1....
205 2SRC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
206 1Y57 ic50 = 1633 nM MPZ C28 H29 N7 O CN1CCN(CC1....
207 3BRB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
208 2P0C - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
209 3W32 ic50 = 75 nM W32 C25 H23 Cl F3 N5 O4 S CS(=O)(=O)....
210 4I22 - IRE C22 H24 Cl F N4 O3 COc1cc2c(c....
211 2ITV - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
212 3VJN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
213 3UG2 Kd = 5.6 nM IRE C22 H24 Cl F N4 O3 COc1cc2c(c....
214 3POZ ic50 = 23 nM 03P C26 H25 Cl F3 N5 O3 CC(C)(CC(=....
215 2RGP ic50 = 0.3 uM HYZ C24 H27 F N8 c1cc(cc(c1....
216 3W33 ic50 = 36 nM W19 C25 H22 Cl N5 O3 S c1cc(c2ccs....
217 2ITN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
218 4RJ8 Ki = 17 nM 3QS C22 H28 N6 O COC1CCN(CC....
219 1XKK Ki = 3 nM FMM C29 H26 Cl F N4 O4 S CS(=O)(=O)....
220 3BEL ic50 = 0.014 uM POX C22 H22 F N7 O2 COCCON=Cc1....
221 3LPB ic50 = 42 nM NVB C24 H23 N3 O5 S CNS(=O)(=O....
222 4E4M Ki = 11 nM 0NH C15 H19 N5 O2 S CC1(CCN(CC....
223 4HGE Ki = 11.9 nM 15V C17 H13 Cl N6 O Cc1cc(n(n1....
224 2B7A ic50 = 1 nM IZA C18 H16 F N3 O CC(C)(C)c1....
225 3E63 ic50 = 1.6 uM 5B2 C13 H11 N3 c1ccc(cc1)....
226 4GFM Ki = 0.06 uM 0X2 C12 H8 Cl2 N2 O2 c1cc(c(c(c....
227 2XA4 ic50 < 0.003 uM AZ5 C14 H14 Cl F N8 Cc1cc([nH]....
228 3Q32 ic50 = 0.0018 uM J2I C23 H24 F2 N8 O2 Cc1cc([nH]....
229 3FUP ic50 = 21.7 nM MI1 C16 H20 N6 O CC1CCN(CC1....
230 4JI9 - 1M3 C26 H35 N7 O2 S Cc1cnc(nc1....
231 3JY9 Ki = 0.001 uM JZH C21 H15 N3 O2 c1ccc2c(c1....
232 3RVG ic50 = 5 nM 17P C22 H24 N6 O Cn1cc(cn1)....
233 3UGC - 046 C28 H30 F3 N7 O3 CC(=O)Nc1c....
234 3E62 ic50 = 40.9 uM 5B1 C7 H6 Br N3 c1cc2c(cc1....
235 3TJC ic50 = 0.031 uM 0TP C19 H20 N4 O2 S CNC(=O)c1c....
236 4IVA - 1J5 C17 H19 N5 O CC(c1nc2cn....
237 4D0X ic50 = 0.008 uM 953 C16 H11 Cl F3 N5 O c1cc(c(cc1....
238 4GMY Ki = 0.028 uM 0X5 C16 H13 Cl2 N3 O2 c1cc(c(c(c....
239 3IOK Ki = 0.0002 uM 1P6 C18 H16 F N7 CC(c1ccc(c....
240 4D0W ic50 = 0.02 uM VVQ C16 H14 Cl N5 O Cc1ccc(cc1....
241 4C61 ic50 = 0.004 uM LMM C17 H17 F N8 S Cc1csc2c1n....
242 4P7E - 2HB C21 H23 N5 O3 S c1cc(n2c(c....
243 3KRR ic50 = 0.48 nM DQX C27 H28 F2 N6 O c1cc(c2c(c....
244 4F09 Ki = 10 nM JAK C14 H17 N5 Cc1nc2cnc3....
245 4JIA Ki = 0.0006 uM 1K3 C24 H26 N6 O CN1CCN(CC1....
246 4D1S ic50 = 0.022 uM BJG C28 H30 Cl N7 O Cc1ccc(cc1....
247 4AQC ic50 = 0.9 nM 88A C23 H23 N5 O3 S CS(=O)(=O)....
248 3KCK Ki = 0.0008 uM 3KC C20 H12 Cl N3 O c1ccc2c(c1....
249 3E64 ic50 = 0.078 uM 5B3 C17 H20 N4 O2 S CC(C)(C)NS....
250 4AOI Ki = 0.004 uM 4K0 C19 H12 N8 c1cc2c(c[n....
251 4E1Z - 0MX C24 H17 Cl N4 O4 S c1cc(cc(c1....
252 4X3J - 3WR C21 H14 F4 N6 O2 c1cc(ccc1N....
253 2P4I ic50 = 317 nM MR9 C29 H27 F3 N6 O3 Cc1ccc(cc1....
254 2OO8 ic50 = 1 nM RAJ C29 H29 F3 N6 O Cc1ccc(cc1....
255 4GFO Ki = 0.24 uM 0X2 C12 H8 Cl2 N2 O2 c1cc(c(c(c....
256 4GJ3 Ki = 1.4 nM 0XP C17 H11 Cl2 F N4 O2 c1cnc(cc1N....
257 4GII Ki = 1.8 nM 0X6 C17 H12 Cl2 N4 O2 c1cnc(cc1N....
258 3NZ0 - IZA C18 H16 F N3 O CC(C)(C)c1....
259 4GJ2 Ki = 2.5 nM 0XH C16 H12 Cl2 F N3 O2 c1cc(c(c(c....
260 3NYX Ki = 32 nM TZ1 C16 H9 Cl N4 O S3 c1cc(sc1)C....
261 3LXP - IZA C18 H16 F N3 O CC(C)(C)c1....
262 4GVJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
263 4GIH Ki = 0.0048 uM 0X5 C16 H13 Cl2 N3 O2 c1cc(c(c(c....
264 3C1X ic50 = 0.045 uM CKK C27 H27 F2 N7 O3 c1cc(ccc1C....
265 4CLJ Ki = 0.1 nM 5P8 C21 H19 F N6 O2 CC1c2cc(cc....
266 3LXN Ki = 4.4 nM MI1 C16 H20 N6 O CC1CCN(CC1....
267 4PY1 - 2YK C17 H16 N6 O2 S Cn1cc(cn1)....
268 4FEQ ic50 = 1.1 uM 0T8 C24 H33 N7 O2 c1cnccc1CC....
269 4FF8 ic50 = 0.4 uM 14S C25 H34 N6 O3 COc1ccccc1....
270 4DEH ic50 = 612 nM 0JK C21 H17 N5 O c1ccc(cc1)....
271 4PMT ic50 = 997 nM 31Y C23 H23 N7 O c1cc(cnc1)....
272 4AT4 ic50 = 0.012 uM T6E C20 H13 F4 N5 O S c1cc(ccc1c....
273 3G6H ic50 = 4.6 nM G6H C32 H28 F3 N7 O4 Cc1ccc(cc1....
274 4FIC ic50 = 20 uM 0UL C11 H9 N5 c1ccc(cc1)....
275 1YOL - S03 C25 H27 N5 O2 COc1cccc(c....
276 3F3U ic50 < 1 uM 1AW C20 H23 N5 O CC(C)(C)c1....
277 3DQX - AMP C10 H14 N5 O7 P c1nc(c2c(n....
278 3U4W ic50 = 0.13 uM 08L C36 H46 N8 O8 c1ccc(cc1)....
279 4MXO Kd = 0.73 nM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
280 3F6X - IHH C22 H19 N7 c1ccc2c(c1....
281 3G6G ic50 = 18 nM G6G C35 H37 N9 O2 Cc1ccc(cc1....
282 2BDJ ic50 = 0.00045 uM HET C26 H30 N5 O2 P CP(=O)(C)c....
283 3U51 ic50 = 25 uM 08X C38 H49 N9 O7 c1ccc(cc1)....
284 2BDF ic50 = 0.067 uM 24A C20 H28 N6 O5 P2 CCn1cnc2c1....
285 3F3T ic50 = 64.1 uM 1AU C24 H25 N5 O CC(C)(C)c1....
286 3GEQ - PP2 C15 H17 Cl N5 CC(C)(C)n1....
287 3EN6 ic50 = 0.235 uM KS5 C17 H16 N6 CC(C)n1c2c....
288 3EL8 ic50 = 25 nM PD5 C22 H20 F3 N7 O CC(C)n1c2c....
289 3UQG - B5A C11 H16 N6 c1c2c(ncnc....
290 3UQF Ki = 0.2 uM BK5 C20 H21 N5 O CCOc1ccc2c....
291 4U5J ic50 = 2.92 uM RXT C17 H18 N6 c1c[nH]c2c....
292 4LGG ic50 = 4 nM VGG C17 H21 N5 Cc1cccc(c1....
293 3G5D ic50 = 0.0004 uM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
294 3DQW - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
295 2OIQ Kd = 42 uM STI C29 H31 N7 O Cc1ccc(cc1....
296 4IWD ic50 = 1 nM 1JC C29 H28 N6 O3 S c1ccnc(c1)....
297 3F82 ic50 = 3.9 nM 353 C25 H19 Cl F2 N4 O4 CCOC1=C(C(....
298 4H1J ic50 = 1200 nM 0YH C26 H30 N6 O2 Cc1ccc(cc1....
299 4H1M ic50 = 78 nM 0YJ C27 H32 N6 O2 Cc1ccc(cc1....
300 3FZT ic50 = 637 nM 4JZ C24 H27 N7 O2 Cc1ccc(cc1....
301 3FZP - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
302 3H3C ic50 = 140 nM P1E C19 H25 F3 N6 O2 S CNS(=O)(=O....
303 3FZS ic50 = 1.5 uM B96 C31 H37 N5 O3 Cc1ccc(cc1....
304 3EYH ic50 = 20 nM IZA C18 H16 F N3 O CC(C)(C)c1....
305 3EKK ic50 = 2 nM GS2 C27 H27 F N8 O3 CNC(=O)c1c....
306 4IBM ic50 = 1.8 uM IR1 C18 H10 N6 O c1ccc(cc1)....
307 1I44 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
308 3EKN ic50 = 2 nM GS3 C27 H31 F N8 O2 CC(C)N1CCN....
309 3G0E Kd = 20 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
310 4U0I ic50 < 11 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
311 4HVS ic50 = 0.016 uM 647 C21 H17 F3 N4 c1cc2c(c[n....
312 1T46 - STI C29 H31 N7 O Cc1ccc(cc1....
313 2P2H ic50 = 68 nM 994 C23 H22 N6 O3 COc1cc(cc(....
314 3KRL ic50 = 0.8 nM KRL C22 H27 N5 O2 CN1CCN(CC1....
315 3BEA ic50 = 0.003 uM IXH C29 H31 N7 O2 CC1CN(CC(N....
316 3DPK ic50 = 4.1 nM 8C5 C27 H34 N6 O3 CONC(=O)C1....
317 2I1M - 5CN C19 H21 N3 O3 CC1CCN(CC1....
318 3KRJ ic50 = 1 nM KRJ C22 H25 N5 O c1cc(c(cc1....
319 3LCD ic50 = 40 nM BDY C27 H30 Cl2 N6 O c1cc(c(c(c....
320 2I0Y - 5CN C19 H21 N3 O3 CC1CCN(CC1....
321 4AT5 ic50 = 0.038 uM MUJ C20 H22 N4 O3 COc1ccc(cc....
322 3ZBF Ki = 2.1 nM VGH C21 H22 Cl2 F N5 O CC(c1c(ccc....
323 3QUP ic50 = 0.476 uM LUN C25 H27 F N4 O c1ccc2c(c1....
324 4K33 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
325 3CP9 - C19 C24 H23 N5 O CC1=C(C(=O....
326 3BE2 ic50 = 2 nM RAJ C29 H29 F3 N6 O Cc1ccc(cc1....
327 2H8H ic50 = 2.7 nM H8H C27 H32 Cl N5 O5 CN1CCN(CC1....
328 3MIY Kd = 21 nM B49 C22 H27 F N4 O2 CCN(CC)CCN....
329 4M14 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
330 3QGW Ki = 1.3 uM L7A C17 H13 N3 O2 c1ccc(cc1)....
331 3V8W ic50 = 8.6 nM 0G2 C24 H23 N3 O S CCC(CC)(c1....
332 3V8T ic50 = 0.3 nM 477 C19 H19 F2 N3 O S CCC(CC)(c1....
333 3V5L ic50 = 7 nM 0G1 C25 H25 N3 O2 S CCC(CC)(c1....
334 4L7S Ki = 15.8 nM G7K C24 H23 F3 N6 O2 S COc1ccc2c(....
335 4M12 Kd = 0.9 uM 1YZ C17 H17 N5 O3 CCOc1ccc2c....
336 4M15 - QWS C18 H19 N5 O3 CC(C)Oc1cc....
337 4PQN Ki = 0.7 nM 2W6 C24 H32 N6 O CC1(CCc2c(....
338 4M0Z Kd = 6.4 uM M0Z C16 H15 N5 O3 COc1ccc2cc....
339 4KIO ic50 = 0.5 uM G5K C22 H26 N8 O2 S C=CC(=O)N1....
340 4MF1 Ki = 1.9 nM 29Y C23 H23 N5 O S CN(C)Cc1cc....
341 4M13 Kd = 0.2 uM 1E0 C18 H19 N5 O3 CCCOc1ccc2....
342 1SNU - STU C28 H26 N4 O3 CC12C(C(CC....
343 3QGY Ki = 0.016 uM L7O C22 H24 N6 O2 CNc1nccc(n....
344 1SM2 Ki < 10 nM STU C28 H26 N4 O3 CC12C(C(CC....
345 3MJ1 Kd = 2.1 nM 614 C23 H31 N7 O2 Cc1cc([nH]....
346 3MJ2 Kd = 15 nM MJG C32 H41 N5 O4 S2 Cc1cc(c(cc....
347 4M0Y Kd = 8.2 uM M0Y C15 H13 N5 O2 c1ccc2c(c1....
348 3PJC ic50 = 27 nM PJC C22 H16 F3 N5 O3 c1ccc2c(c1....
349 4HVH ic50 = 19 nM 19R C15 H20 N4 O2 CC(C(C)(C)....
350 3ZEP ic50 = 0.022 uM 1NX C23 H25 N5 O3 CC(C1CC1)N....
351 4I6Q ic50 = 0.03 uM 1DT C18 H18 N4 O2 CC(C1CC1)N....
352 3LXK Ki = 0.2 nM MI1 C16 H20 N6 O CC1CCN(CC1....
353 3ZC6 ic50 = 0.6 nM VFC C22 H19 F N8 O2 CC(C(=O)N1....
354 4HVD ic50 = 1.4 nM 933 C16 H22 N4 O CC(C(C)(C)....
355 3LXL - IZA C18 H16 F N3 O CC(C)(C)c1....
356 4HVI ic50 = 68.9 nM 19S C18 H23 N5 O2 CC(C(=O)N1....
357 3EQP - T95 C33 H38 N6 O4 CCOc1ccccc....
358 1U4D - DBQ C11 H11 N5 O2 c1c[nH]c2c....
359 3EQR Ki = 0.002 uM T74 C29 H38 N8 O Cc1cccc(c1....
360 4TYJ - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
361 4UXQ Kd = 16 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
362 4QRC - 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
363 2HK5 ic50 = 46 nM 1BM C24 H29 N7 O CCN(CC)CCN....
364 4F0F - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
365 4ASE Ki = 0.01 nM AV9 C22 H19 Cl N4 O5 CC1=CC(=NC....
366 4AGC Ki = 0.02 nM AXI C22 H18 N4 O S CNC(=O)c1c....
367 4ASD Ki = 0.52 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
368 1BYG - STU C28 H26 N4 O3 CC12C(C(CC....
369 4PMP ic50 = 4233 nM 31W C21 H18 F3 N3 O2 S c1cc(cc(c1....
370 1JPA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
371 3PLS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
372 4CTB - KVC C23 H18 F N7 O2 CC1c2cc(cc....
373 3JS2 - VM1 C10 H7 N O2 S c1cc(sc1)c....
374 3RHX ic50 = 0.84 uM 3RH C18 H15 N3 c1ccc(cc1)....
375 4NKA Kd = 447 nM 2K7 C22 H25 N7 O3 Cc1cc(on1)....
376 2FGI Ki = 36.4 nM PD1 C28 H41 N7 O3 CCN(CC)CCC....
377 1FGI - SU1 C17 H16 N2 O3 Cc1c[nH]c(....
378 4V04 Kd = 7.7 nM 0LI C29 H27 F3 N6 O Cc1ccc(cc1....
379 4NKS Kd = 69.1 nM 2M2 C20 H21 N7 O Cc1cc(on1)....
380 3C4F ic50 = 1.9 uM C4F C15 H14 N2 O COc1cccc(c....
381 4F64 ic50 = 63 nM 0S8 C16 H20 Br N7 O2 Cc1cc(on1)....
382 1AGW - SU2 C20 H21 N3 O2 c1ccc2c(c1....
383 3WJ6 ic50 = 9.3 nM LWJ C20 H16 N6 O Cc1[nH]c2c....
384 4F65 ic50 = 2.5 nM 0S9 C20 H20 Br N7 O Cc1cc(on1)....
385 2IVS - ACK C10 H12 N5 O6 P c1nc(c2c(n....
386 2X2L ic50 = 5.3 uM X2L C16 H14 N2 O2 COc1ccc(cc....
387 2IVV - PP1 C16 H19 N5 Cc1ccc(cc1....
388 4CKI - ADN C10 H13 N5 O4 c1nc(c2c(n....
389 2IVU Ki = 375 nM ZD6 C22 H24 Br F N4 O2 CN1CCC(CC1....
390 4CKJ - ADN C10 H13 N5 O4 c1nc(c2c(n....
391 2X2M ic50 = 0.17 uM X2M C15 H14 N2 O Cc1cc([nH]....
392 1MQB - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
393 3SXR - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
394 3SXS - PP2 C15 H17 Cl N5 CC(C)(C)n1....
395 4CLI Ki < 0.07 nM 5P8 C21 H19 F N6 O2 CC1c2cc(cc....
396 4CCB - OFG C19 H18 F N7 O Cc1c(c[nH]....
397 4CMT Ki < 0.2 nM GWH C22 H22 F N5 O3 S CC(c1cc(cc....
398 4CTC - J99 C23 H24 F N5 O2 CC1c2cc(cc....
399 3PIZ ic50 = 3.5 uM 03C C23 H26 N4 O3 S Cc1ccccc1n....
400 4RG0 ic50 = 50 nM 3P0 C36 H38 F N7 O3 CC(C)(C#N)....
401 3GEN - B43 C23 H22 N4 O c1ccc(cc1)....
402 4NWM ic50 = 0.038 uM 2P5 C34 H35 N7 O3 Cc1c(cccc1....
403 4RFY ic50 = 100 nM 3OU C34 H36 N6 O5 CN1C=C(C=C....
404 4OT5 - 481 C35 H37 N7 O2 CC(C)(C)c1....
405 4OTQ - 2V2 C27 H29 N5 O3 Cc1c(cccc1....
406 3PJ3 ic50 = 5.6 uM 04L C29 H23 N5 O2 Cc1ccc(cc1....
407 3PJ1 ic50 = 0.048 uM LHL C25 H28 Cl2 N6 O2 CCN(CC)CCO....
408 4RFZ ic50 = 40 nM 3OV C34 H33 F N6 O5 CN1C=C(C=C....
409 3PIX ic50 = 0.1 uM 027 C20 H27 N7 O Cc1cc(n[nH....
410 3PJ2 ic50 = 7.2 uM 04K C26 H28 F N5 O3 CCN(CC)CCO....
411 4OT6 - 2V1 C31 H28 N6 O5 S CS(=O)(=O)....
412 4OTR - 2V3 C36 H37 F N6 O3 CCN1CCN(CC....
413 3K54 - 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
414 2XYU ic50 = 4.5 uM Q9G C17 H17 F N4 Cc1ccc(cc1....
415 2Y6O ic50 = 25 nM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
416 4CMO Ki = 0.85 nM YPW C20 H20 F N5 O3 CC(c1cc(cc....
417 4CMU Ki < 0.2 nM IV7 C21 H22 F N5 O2 Cc1c-2c(n(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PHU; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 PHU 1 1
2 BSU 0.566667 0.88
3 KLS 0.414634 0.6875
4 S0A 0.4 0.733333
Ligand no: 2; Ligand: 1DT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 1DT 1 1
2 1NX 0.619565 0.842105
3 19R 0.406977 0.745455
4 933 0.406977 0.698113
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LXK; Ligand: MI1; Similar sites found: 473
This union binding pocket(no: 1) in the query (biounit: 3lxk.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2QLU ADE 0.000000006902 0.78679
2 2VZ6 FEF 0.0000000006449 0.78156
3 4CNH 3U9 0.000000000254 0.75384
4 1V0O INR 0.0000000005764 0.73764
5 4AU8 Z3R 0.000000005064 0.73696
6 4AU8 Z3R 0.000000005064 0.73696
7 4CNH 3U9 0.000000006141 0.73279
8 2ZV2 609 0.000000007555 0.7283
9 4AU8 Z3R 0.000000007863 0.72744
10 4BCN T9N 0.000000004803 0.72659
11 2OIC STU 0.000000003821 0.72046
12 2OIC STU 0.000000008762 0.71389
13 2NRY STU 0.000000003701 0.71074
14 4CFU 2WC 0.000000006185 0.71052
15 2VZ6 FEF 0.00000001173 0.70773
16 2GU8 796 0.000000001206 0.70418
17 2NRY STU 0.00000000534 0.70333
18 4CFU 2WC 0.00000001695 0.69995
19 4BCN T9N 0.00000001036 0.69987
20 2F2U M77 0.00000002931 0.69896
21 2OIC STU 0.00000001883 0.69773
22 2XMY CDK 0.000000001612 0.69729
23 1V0O INR 0.000000003143 0.69467
24 2NRY STU 0.000000009399 0.69191
25 2NRY STU 0.00000001833 0.68808
26 2B9J ADP 0.00000001213 0.68676
27 2OIC STU 0.00000003372 0.68541
28 4CD0 AWJ 0.000000003215 0.67665
29 2Z7R STU 0.000000004016 0.67252
30 3OWK 18E 0.000000405 0.66848
31 2YEX YEX 0.000000003163 0.66624
32 1RE8 BD2 0.000000005066 0.6633
33 2B9I ADP 0.00000002487 0.66323
34 4C58 824 0.0000000389 0.66323
35 3THB 3TA 0.000000002321 0.66143
36 3THB 3TA 0.000000002321 0.66143
37 2F2U M77 0.0000001848 0.65912
38 1VJY 460 0.0000000005909 0.65908
39 3RWP ABQ 0.00000006046 0.65899
40 3RWP ABQ 0.00000006046 0.65899
41 4AUA 4AU 0.0000005131 0.65713
42 4OH4 ANP 0.0000000369 0.65543
43 2O2U 738 0.0000001147 0.65021
44 4EUU BX7 0.000000001689 0.6421
45 2OID ANP 0.0000000726 0.64205
46 4BHN BH9 0.0000000006226 0.64178
47 3ALN ANP 0.0000004615 0.63931
48 3FHI ANP 0.00000000299 0.63217
49 2QCS ANP 0.000000003047 0.63184
50 1O9U ADZ 0.000003566 0.63142
51 2R5T ANP 0.00000003989 0.62983
52 2R5T ANP 0.00000003989 0.62983
53 3PP0 03Q 0.00000002926 0.62816
54 4BHN BH9 0.0000000005475 0.62553
55 2OID ANP 0.000000253 0.62541
56 2A19 ANP 0.0000009329 0.62408
57 3GNI ATP 0.00000009207 0.62162
58 3PP0 03Q 0.00000001482 0.61931
59 3FHR P4O 0.0000001596 0.61865
60 3TTI KBI 0.0000001762 0.61673
61 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0000001683 0.6154
62 2JDR L20 0.0000001683 0.6154
63 4MBI 26K 0.000001455 0.61446
64 4C2V YJA 0.00000001821 0.61424
65 2R5T ANP 0.00000006376 0.61396
66 3SLS ANP 0.00000009836 0.61305
67 4BKY 82B 0.000000001614 0.61131
68 3IGO ANP 0.0000001179 0.60968
69 3SLS ANP 0.0000001211 0.60919
70 4NW6 2NS 0.000000001642 0.60814
71 2WTV ZZL 0.000001185 0.6079
72 4GW8 3RA 0.000002136 0.60615
73 3GQI ACP 0.0000000003274 0.60544
74 2PVN P63 0.00000001318 0.60456
75 3JPV 1DR 0.000005329 0.60386
76 2OID ANP 0.000001084 0.60383
77 3ALN ANP 0.0000002707 0.60116
78 4OH4 ANP 0.0000004101 0.60038
79 2EVA ADN 0.00000004312 0.5995
80 2OID ANP 0.0000004292 0.5995
81 1XJD STU 0.0000000005152 0.59841
82 4OTI MI1 0.0000000005328 0.59765
83 3TKI S25 0.00000001163 0.59597
84 3ALN ANP 0.000001204 0.59389
85 3HMO STU 0.000001428 0.59045
86 4IZY 1J2 0.0000004766 0.59044
87 4KS7 X4Z 0.000000238 0.58994
88 2WQN ADP 0.000003301 0.58855
89 3PVW QRX 0.00000008874 0.58845
90 4WHZ 3NL 0.0000002316 0.58801
91 4FG8 ATP 0.000000007639 0.58621
92 3VBQ 0F5 0.0000004045 0.58589
93 2WU6 DKI 0.0000002986 0.5858
94 4I6H 1C8 0.000001425 0.58321
95 3E8N ATP 0.0000004324 0.5832
96 3E8N VRA 0.0000004324 0.5832
97 3E8N VRA 0.0000004324 0.5832
98 3E8N ATP 0.0000004324 0.5832
99 2X4Z X4Z 0.000000194 0.58206
100 3C0I 3AM 0.0000006085 0.57917
101 2YAK OSV 0.0000001514 0.578
102 4DCE 0JF 0.0000006566 0.57776
103 1XR1 ANP 0.000001321 0.57774
104 2XK9 XK9 0.0000002813 0.57748
105 4EQC XR1 0.000000236 0.57668
106 4F9C 0SX 0.000000001324 0.57629
107 2PVF ACP 0.00000000141 0.57622
108 3IDB ANP 0.00000002229 0.5762
109 3V8S 0HD 0.000000001272 0.57479
110 4IDT T28 0.000000001593 0.57457
111 4NFN 2KC 0.000003273 0.5737
112 3V8S 0HD 0.00000000158 0.57326
113 3E5A VX6 0.0000003842 0.56895
114 4FG8 ATP 0.00000001402 0.56892
115 3UZP 0CK 0.000003015 0.5684
116 3FI3 JK2 0.000002148 0.56833
117 2YAB AMP 0.000000009382 0.56791
118 4MK0 29X 0.00000007845 0.56551
119 4MQ1 2C3 0.00000002516 0.56524
120 4RLL E91 0.0000382 0.56353
121 2B9H ADP 0.00000001261 0.56342
122 2B9F ADP 0.000000008558 0.56064
123 1PHK ATP 0.00000001604 0.56012
124 4MQ1 2C3 0.00000002243 0.55868
125 2JLD AG1 0.0000001378 0.55846
126 3GC8 B45 0.000001377 0.55792
127 4QTB 38Z 0.0000004474 0.55728
128 3MVH WFE 0.0000009078 0.55698
129 3TZM 085 0.00000004758 0.55649
130 4MQ1 2C3 0.00000007601 0.55553
131 4MQ1 2C3 0.00000005002 0.55413
132 4OA2 ADP 0.00000002798 0.55305
133 3KMW ATP 0.000009128 0.55299
134 3O0G 3O0 0.000000007855 0.55289
135 4MWH ATP 0.00000005062 0.55244
136 4MWH ATP 0.00000005062 0.55244
137 3SXF BK5 0.000001072 0.55227
138 4L3L 5FI 0.0000006878 0.5521
139 1Q8Y ADP 0.00000005136 0.55188
140 1UNH IXM 0.000000003838 0.55188
141 1U5R ATP 0.00000001837 0.55006
142 2RIO ADP 0.00000001318 0.54862
143 3GC8 B45 0.000003396 0.54721
144 4QTB 38Z 0.0000008123 0.54713
145 2J90 IZA 0.00000002166 0.5463
146 4IJP 1EH 0.00000008658 0.54591
147 4MKC 4MK 0.00000008035 0.54548
148 3GGF GVD 0.000000009384 0.54407
149 3GGF GVD 0.000000009384 0.54407
150 4C4F 7CE 0.00000007239 0.54361
151 3UZP 0CK 0.000007731 0.54354
152 3UZP 0CK 0.000007731 0.54354
153 1OUK 084 0.00003493 0.54291
154 2JLD AG1 0.0000001415 0.54262
155 4IJP 1EH 0.0000001099 0.54169
156 2VAG V25 0.00000003475 0.54125
157 4Q5H ANP 0.00001212 0.54089
158 1PME SB2 0.000007193 0.54005
159 2WTV ZZL 0.0000002402 0.53939
160 3E7O 35F 0.000001637 0.53926
161 4JQE ANP 0.00000004752 0.53918
162 4OAC ADP 0.00000004117 0.53849
163 4UAL 3FV 0.00000004631 0.53845
164 3BQC EMO 0.000005751 0.53741
165 2CSN CKI 0.0000009279 0.53734
166 3AT4 CCK 0.0000003296 0.53704
167 4DCE 0JF 0.000008756 0.53523
168 4JDI ANP 0.0000001468 0.53522
169 2XNM WGZ 0.000001897 0.53474
170 3ZJX BOG 0.0001394 0.5347
171 3ZJX BOG 0.0001401 0.53458
172 3ZJX BOG 0.0001402 0.53457
173 4F9A ADP 0.00000004393 0.53452
174 4LFI GNP 0.00000009168 0.53414
175 2JLD AG1 0.0000001596 0.53409
176 4U44 3D9 0.00000006832 0.53351
177 4U44 3D9 0.00000006832 0.53351
178 4PNI KQQ 0.000001043 0.53263
179 4H3Q ANP 0.0000004453 0.53216
180 4GYI ADP 0.00004889 0.53159
181 4KBA 1QM 0.00002846 0.53001
182 2WTV ZZL 0.0000002661 0.5299
183 4F9A ADP 0.00000006624 0.52967
184 2J51 DKI 0.0000000604 0.52935
185 1UNH IXM 0.00000000939 0.52922
186 4F99 ADP 0.00000008108 0.52907
187 4BFM ANP 0.0000002786 0.52809
188 4C2V YJA 0.000003351 0.52695
189 3GGF GVD 0.00000001896 0.52566
190 4NM5 ADP 0.0000006244 0.52486
191 4NM5 ADP 0.0000006244 0.52486
192 4BCM T7Z 0.00000008304 0.52433
193 2J7T 274 0.000003637 0.5236
194 4KBA 1QM 0.00007637 0.52216
195 4QPM ADP 0.0000002917 0.5219
196 3M2W L8I 0.00000002843 0.52185
197 4H3P ANP 0.0000001534 0.52164
198 3DLS ADP 0.00000001731 0.52126
199 3ORK AGS 0.000001748 0.52121
200 4QTC 38Z 0.000002046 0.52033
201 4KBA 1QM 0.00003525 0.51979
202 1U5R ATP 0.00000009637 0.51872
203 1U5R ATP 0.00000009637 0.51872
204 4H3P ANP 0.0000002144 0.51826
205 3F7Z 34O 0.0000001344 0.51752
206 4QPM ADP 0.000000233 0.51747
207 2NRU T12 0.0000003423 0.51589
208 4JR7 GNP 0.00000005736 0.51576
209 1IA9 ANP 0.00003289 0.51551
210 3DLS ADP 0.00000005862 0.51546
211 3DLS ADP 0.00000005487 0.51532
212 4KBA 1QM 0.00004458 0.51515
213 4KBA 1QM 0.00004458 0.51515
214 3DLS ADP 0.00000003095 0.51506
215 3ZJX BOG 0.0003831 0.51503
216 3DLS ADP 0.00000003564 0.51373
217 3E7O 35F 0.000008502 0.51274
218 3TXO 07U 0.00000006702 0.51266
219 3TXO 07U 0.00000006702 0.51266
220 1CM8 ANP 0.0000001561 0.51229
221 1CM8 ANP 0.0000001559 0.51224
222 2NRU T12 0.000000781 0.51083
223 3DLS ADP 0.00000008714 0.51012
224 2QU6 857 0.000003131 0.51012
225 3DLS ADP 0.00000008714 0.51012
226 2PZI AXX 0.0001373 0.50977
227 3BU5 ATP 0.0000003609 0.50861
228 3A8W ATP 0.000000394 0.5084
229 3A8W ATP 0.000000394 0.5084
230 2NRU T12 0.0000002414 0.50774
231 3KN5 ANP 0.0000001736 0.50693
232 2PZI AXX 0.0001616 0.50633
233 2NRU T12 0.0000004251 0.50567
234 4OTH DRN 0.0000004038 0.5048
235 4X2K 3WO 0.00000008111 0.50466
236 4X2J 3WN 0.00000008111 0.50466
237 2WTV ZZL 0.000001468 0.50387
238 4NST ADP 0.0000005123 0.50369
239 4NST ADP 0.0000005145 0.50364
240 2ZM3 575 0.00000001926 0.50313
241 3UIM ANP 0.0000005201 0.50295
242 3A8W ATP 0.0000005891 0.50224
243 2ZM3 575 0.00000006071 0.50049
244 1AUX AGS 0.00009585 0.50002
245 3LKM AMP 0.00007444 0.4997
246 3A7H ATP 0.000000326 0.49923
247 3A7H ATP 0.000000326 0.49923
248 2ZM3 575 0.00000003189 0.49815
249 4KNB 1RU 0.0000002478 0.49703
250 4OUC 5ID 0.0000003245 0.49694
251 4M69 ANP 0.000002183 0.49693
252 4O1P ANP 0.0000007324 0.49535
253 2G30 ALA ALA PHE 0.0001877 0.49514
254 4N6Z 2HW 0.0000001706 0.49409
255 3UYT 0CK 0.000001591 0.49388
256 4O1P ANP 0.0000004995 0.4936
257 3ZRM ZRM 0.000000934 0.49303
258 4KNB 1RU 0.0000001498 0.49259
259 3UYT 0CK 0.000001564 0.49233
260 2ZM3 575 0.0000001225 0.49172
261 4KNB 1RU 0.0000003735 0.49125
262 2QU6 857 0.000005234 0.48919
263 4KNB 1RU 0.0000005441 0.48814
264 3DAK ANP 0.000001632 0.48779
265 3DAK ANP 0.000001632 0.48779
266 3F7Z 34O 0.0000003569 0.487
267 4LRJ ANP 0.0000008537 0.48686
268 4OAV ACP 0.00000125 0.48578
269 3ZOS 0LI 0.00002684 0.48567
270 3HZT J60 0.0000001354 0.48563
271 3PDT ADP 0.000336 0.48535
272 4BCQ TJF 0.000000174 0.48488
273 3CXW 7CP 0.000001168 0.48461
274 2VN9 GVD 0.00000009282 0.48304
275 1ZY5 ANP 0.000001132 0.48281
276 3CY2 MB9 0.0000002316 0.48267
277 4N70 2HX 0.0000004747 0.48004
278 3C0H AMP 0.00000003837 0.47998
279 4LRJ ANP 0.000001563 0.47874
280 3H9R TAK 0.0000001083 0.47795
281 2P2I 608 0.00001693 0.47616
282 4I94 ANP 0.000001751 0.47611
283 3KN5 ANP 0.0000004613 0.47583
284 4AXD ANP 0.0001148 0.47509
285 2V7O DRN 0.0000002156 0.47501
286 4C2W ANP 0.0000002012 0.47446
287 4TWC 37J 0.000005182 0.47369
288 4G31 0WH 0.000002501 0.47324
289 3PE2 E1B 0.0000005327 0.4731
290 2F57 23D 0.000002069 0.47293
291 2VN9 GVD 0.00000006918 0.47264
292 4I94 ANP 0.00000122 0.4725
293 4PU5 ANP 0.0001538 0.47193
294 4K1B 1OC 0.000003812 0.47188
295 4CYI ATP 0.00000956 0.47097
296 3EFK MT4 0.00002083 0.47073
297 3AQV TAK 0.000004408 0.47071
298 3EFK MT4 0.00002946 0.47063
299 3EFK MT4 0.00002946 0.47063
300 3DAK ANP 0.000001363 0.46937
301 3R0T FU9 0.0000034 0.46911
302 4LH7 1X8 0.002263 0.46747
303 2P2I 608 0.00003016 0.46732
304 3UYT 0CK 0.000008925 0.46683
305 2RFN AM7 0.00002472 0.46675
306 3RE4 TO1 0.000004562 0.46669
307 4ORK GDP 0.000008004 0.46631
308 3PE1 3NG 0.000001417 0.46468
309 3TDV GDP 0.000008767 0.4643
310 1ZP9 ATP 0.000007294 0.46419
311 1ZP9 ATP 0.000006362 0.464
312 4CYI ATP 0.00002273 0.46299
313 4GRB 0XG 0.0000006493 0.46297
314 3UYT 0CK 0.00001178 0.46295
315 3TDV GDP 0.000008768 0.46282
316 4IX4 ADP 0.0000224 0.46273
317 4TWC 37J 0.000003911 0.46153
318 2WEI VGG 0.000003405 0.46039
319 3UDZ ADP 0.00001736 0.45994
320 3UDZ ADP 0.00001736 0.45994
321 3C0H AMP 0.00000007112 0.45906
322 4BTK DTQ 0.00001053 0.45905
323 4TW9 386 0.00000444 0.45904
324 3UDZ ADP 0.0000181 0.45896
325 4HNF 16W 0.000005608 0.45831
326 4BCM T7Z 0.0000003308 0.45799
327 4CYI ATP 0.00001719 0.45767
328 4CYI ATP 0.00001795 0.4575
329 1TQP ATP 0.000275 0.45734
330 2XG5 EC2 0.002707 0.45589
331 2XG5 EC5 0.002707 0.45589
332 1Q8Y ADE 0.0000007771 0.45577
333 4DFU QUE 0.00286 0.45536
334 3VPB ADP 0.0002508 0.45512
335 2PYW ADP 0.00003715 0.45348
336 3VPC ADP 0.0005337 0.45317
337 1W2D ADP 0.002541 0.45288
338 4DFU QUE 0.004118 0.45244
339 4ORK GDP 0.00001349 0.45197
340 3ZOS 0LI 0.000002017 0.45193
341 4F9B 0SY 0.0000002319 0.45115
342 3Q60 ATP 0.00001439 0.45112
343 2RFN AM7 0.00005771 0.45021
344 1ZTH ADP 0.000006664 0.45007
345 1GSA ADP 0.00008677 0.44975
346 1GSA ADP 0.00008677 0.44975
347 4F9B 0SY 0.0000003879 0.44881
348 2BPM 529 0.0000002147 0.44849
349 4F1M ACP 0.000009051 0.44843
350 4BCQ TJF 0.000001579 0.4483
351 1W2D ADP 0.003143 0.44827
352 1WBP ADP 0.0000006201 0.44808
353 4FE2 AIR 0.003348 0.4469
354 3FC2 IBI 0.000002246 0.44651
355 1ZP9 ATP 0.00001254 0.44633
356 3SG8 TOY 0.0003461 0.44564
357 3SG8 TOY 0.0003461 0.44564
358 3C0G 3AM 0.000003075 0.44559
359 1ZP9 ATP 0.0000113 0.44545
360 2VDF OCT 0.008308 0.44498
361 3AKK ADP 0.00005042 0.44456
362 4BKJ STI 0.0001377 0.44437
363 3ORQ ADP 0.001102 0.44352
364 4OCJ NDG 0.0007438 0.44213
365 3GC0 AMP 0.00001285 0.44148
366 1ZTH ADP 0.000007816 0.44116
367 3PTG 932 0.000004282 0.44083
368 4UWH JXM 0.003001 0.44011
369 4G16 0VM 0.00001436 0.43993
370 4ORK GDP 0.00001802 0.43935
371 3A7H ATP 0.0000001701 0.43926
372 4G17 0VN 0.00001733 0.43915
373 1ZTH ADP 0.000007569 0.43866
374 4HNF 16W 0.000004289 0.43804
375 3RGF BAX 0.0008099 0.43801
376 4X0M 3WA 0.00000001577 0.43764
377 1ZTH ADP 0.00000965 0.4376
378 3DNT ATP 0.0002384 0.43634
379 3KYF 5GP 5GP 0.005614 0.43569
380 3C0G 3AM 0.000001931 0.43534
381 1PK8 ATP 0.0003375 0.43524
382 3TPV ADE 0.002078 0.43524
383 4DC2 ADE 0.0000001752 0.43492
384 3OFM 4B0 0.0000001978 0.43445
385 2VQD AP2 0.0001247 0.43349
386 4LOO SB4 0.00006275 0.43345
387 4ORK GDP 0.00003972 0.43285
388 1K3A ACP 0.0000234 0.43253
389 4KWP EXX 0.000000612 0.43202
390 2BPM 529 0.0000005325 0.43167
391 2E27 AB0 0.00553 0.43161
392 2VPQ ANP 0.0002498 0.43124
393 2QHV OC9 0.008528 0.43106
394 1PK8 ATP 0.0004374 0.43101
395 4KBC 1QJ 0.00001417 0.42969
396 3OWL 19E 0.0000003368 0.42961
397 2IO8 ADP 0.0003887 0.4296
398 4BKJ STI 0.0002022 0.428
399 1I7L ATP 0.0004292 0.4277
400 1I7L ATP 0.0004292 0.4277
401 3WVR AMP 0.00006047 0.42584
402 3WVR AMP 0.00006047 0.42584
403 2YW2 ATP 0.002798 0.42583
404 4JPS 1LT 0.005047 0.42538
405 1Y8E SVR 0.0154 0.42396
406 4NAE 1GP 0.01851 0.42386
407 2YW2 ATP 0.003135 0.42367
408 3LQV ADE 0.01232 0.42342
409 4JX7 1N6 0.00005707 0.42337
410 4ANW O92 0.001554 0.42277
411 3B6R ADP 0.005835 0.42245
412 4AZW ATP 0.0002745 0.42238
413 3SG8 TOY 0.00136 0.42222
414 1RYD GLC 0.02111 0.42121
415 2HFU MEV 0.01766 0.42038
416 4FE2 ADP 0.009536 0.42006
417 4OCV ANP 0.0003346 0.41981
418 3DGY 2GP 0.01719 0.41979
419 3RE4 TO1 0.00004953 0.41941
420 2PUL ACP 0.0001748 0.41784
421 2PUL ACP 0.0001748 0.41784
422 4KBC 1QJ 0.00004609 0.41754
423 4KBC 1QJ 0.00004609 0.41754
424 4DZ1 DAL 0.01885 0.41715
425 3AKK ADP 0.0001973 0.41693
426 1UY4 XYP XYP XYP XYP 0.02328 0.41689
427 3SHR CMP 0.01419 0.41553
428 3SHR CMP 0.01419 0.41553
429 4OYB 1VJ 0.009843 0.41481
430 4OYB 1VJ 0.009843 0.41481
431 3T7A ADP 0.004751 0.41361
432 3MB6 01I 0.0000054 0.4126
433 2HKA C3S 0.005977 0.41141
434 2WEL K88 0.00000379 0.41093
435 1S9D AFB 0.01755 0.4109
436 2HKA C3S 0.007437 0.41051
437 3SLS 77D 0.01266 0.41028
438 2HGS ADP 0.001162 0.40999
439 1RL4 BRR 0.02191 0.40998
440 3SJK LYS PRO VAL LEU ARG THR ALA 0.033 0.40962
441 3WVR AMP 0.0002003 0.40929
442 2Z9I GLY ALA THR VAL 0.02001 0.40871
443 2Q7D ANP 0.00433 0.40799
444 3EZ2 ADP 0.0246 0.40738
445 3WVR AMP 0.0002445 0.40719
446 3WVR AMP 0.0002445 0.40719
447 6UPJ NIU 0.0149 0.40689
448 4C5N ACP 0.004029 0.40633
449 1C1X HFA 0.01835 0.40613
450 2RIF AMP 0.0155 0.40607
451 3VPD ANP 0.001024 0.40573
452 4JBL MET 0.03174 0.40564
453 2HZQ STR 0.03481 0.40523
454 3KYG 5GP 5GP 0.01367 0.40518
455 2AGC DAO 0.02731 0.40504
456 4FMS BDP 0.03274 0.40492
457 3A1S GDP 0.01943 0.40491
458 1WAP TRP 0.01661 0.40463
459 3W0O ADP 0.003534 0.40444
460 3W0O HY0 0.003838 0.40444
461 3T4V MD3 0.01021 0.40434
462 3P7G MAN 0.03508 0.4043
463 2BES RES 0.02005 0.40424
464 1WAP TRP 0.01471 0.40368
465 2Q7D ANP 0.003988 0.40366
466 2Q7D ANP 0.003988 0.40366
467 2WA4 069 0.02085 0.40341
468 1D2S DHT 0.0157 0.40235
469 4BG4 ADP 0.01336 0.40229
470 3B6R CRN 0.008676 0.40191
471 4JNJ BTN 0.01936 0.40144
472 3N9O OGA 0.04206 0.40107
473 3A1S GDP 0.02391 0.40048
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