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Receptor
PDB id Resolution Class Description Source Keywords
4OBP 2.27 Å EC: 2.7.11.1 MAP4K4 IN COMPLEX WITH INHIBITOR (COMPOUND 29), 6-(2-FLUOROP YL)PYRIDO[3,2-D]PYRIMIDIN-4-AMINE HOMO SAPIENS KINASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF SELECTIVE 4-AMINO-PYRIDOPYRIMIDINE INH OF MAP4K4 USING FRAGMENT-BASED LEAD IDENTIFICATION OPTIMIZATION. J.MED.CHEM. V. 57 3484 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2QU A:403;
Valid;
none;
ic50 = 0.017 uM
241.224 C12 H8 F N5 c1cc(...
MG A:401;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
MES A:402;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4U44 2.43 Å EC: 2.7.11.1 MAP4K4 IN COMPLEX WITH INHIBITOR (COMPOUND 16) HOMO SAPIENS KINASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: FRAGMENT-BASED IDENTIFICATION AND OPTIMIZATION OF A POTENT PYRROLO[2,1-F][1,2,4]TRIAZINE MAP4K4 INHIBIT BIOORG.MED.CHEM.LETT. V. 24 4546 2014
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 4OBQ ic50 = 0.065 uM 2QT C20 H20 F N5 O c1cc2c(cc1....
2 4U43 Kd = 48 uM 3D8 C11 H9 N5 c1cc(cnc1)....
3 4OBP ic50 = 0.017 uM 2QU C12 H8 F N5 c1cc(nc2c1....
4 4U44 ic50 = 0.008 uM 3D9 C17 H13 N5 c1ccc(cc1)....
5 4RVT ic50 = 1.9 uM 3XM C17 H19 N O4 CCCCCC(=O)....
6 4OBO ic50 = 0.077 uM 2QV C14 H10 Cl N3 c1cc(cc(c1....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 5AX9 ic50 = 8 nM 4KT C24 H24 N4 O3 COc1ccc(cc....
2 4OBQ ic50 = 0.065 uM 2QT C20 H20 F N5 O c1cc2c(cc1....
3 4U43 Kd = 48 uM 3D8 C11 H9 N5 c1cc(cnc1)....
4 4OBP ic50 = 0.017 uM 2QU C12 H8 F N5 c1cc(nc2c1....
5 4U44 ic50 = 0.008 uM 3D9 C17 H13 N5 c1ccc(cc1)....
6 4RVT ic50 = 1.9 uM 3XM C17 H19 N O4 CCCCCC(=O)....
7 4OBO ic50 = 0.077 uM 2QV C14 H10 Cl N3 c1cc(cc(c1....
50% Homology Family (199)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 2YM8 ic50 = 0.013 uM YM8 C19 H19 Cl N6 O C[C@H](CN(....
2 5OPU ic50 = 0.1237 uM A3K C15 H12 N4 Cc1cccc(c1....
3 5OP4 ic50 = 0.4476 uM A0T C19 H21 F4 N5 O3 CCNc1c(cnc....
4 2CGW ic50 = 17.3 uM 3C3 C9 H15 N9 O2 CCCn1c(nc(....
5 3F9N ic50 = 1.3 uM 38M C29 H35 Cl N4 O2 S CCCC[C@@H]....
6 4JIK ic50 = 0.039 uM 1KO C18 H19 Cl N6 O c1cc(ccc1c....
7 4QYH ic50 = 0.0013 uM 3DX C22 H20 N6 CN1CCN(CC1....
8 2BRB Ki = 13.7 uM PFQ C20 H17 N3 O2 c1ccc(cc1)....
9 3PA3 ic50 = 1 nM C70 C18 H18 Cl N5 O S c1cc(ccc1c....
10 5OQ6 ic50 = 0.0828 uM 4K4 C31 H38 N8 O3 CN1CCN(CC1....
11 6FCF ic50 = 0.006 uM D58 C20 H22 N4 O S C[C@@H]1[C....
12 2YER ic50 = 0.02 uM TQ1 C15 H12 N4 O2 c1cc([nH]c....
13 2E9O ic50 = 20 nM A58 C25 H27 N3 O2 CC1CCC(CC1....
14 5OPB ic50 = 0.0577 uM A1N C21 H25 N5 O2 C[C@@H]1CN....
15 2WMQ - ZYQ C9 H11 N3 O2 S CC(=O)Nc1n....
16 2BRO ic50 = 1.4 uM DF2 C21 H20 N4 O2 c1ccc(cc1)....
17 2QHN ic50 = 980 nM 582 C13 H13 N3 O CCN1c2cccc....
18 4RVM ic50 = 1 nM 3X7 C23 H21 N5 c1cc(ccc1C....
19 5DLS ic50 = 4.4 nM 5CV C31 H34 N6 O3 CC(C)(CN(C....
20 3TKI ic50 = 0.05 nM S25 C20 H23 N7 O2 S c1cnc(cc1N....
21 2YM5 ic50 = 0.43 uM YM5 C18 H21 N5 O2 c1cc(cc(c1....
22 4HYH ic50 = 1 nM 1AM C22 H22 N6 O3 S COc1ccc2c(....
23 5OPV ic50 = 0.1203 uM A3H C19 H16 N6 Cc1cccc(c1....
24 5OOT ic50 = 0.0681 uM 4K4 C31 H38 N8 O3 CN1CCN(CC1....
25 1NVS Ki = 15 nM UCM C24 H15 N3 O3 c1ccc2c(c1....
26 2YDK ic50 = 0.007 uM YDK C17 H20 N4 O2 S c1ccc(cc1)....
27 3OT3 ic50 = 0.005 uM 22K C16 H20 Br N7 Cn1cc(cn1)....
28 2HXQ ic50 = 144 nM 373 C24 H26 N4 O c1ccc2c(c1....
29 2QHM ic50 = 660 nM 7CS C16 H19 N3 O2 CN1[C@H]2C....
30 2BRH ic50 = 22 uM DFW C20 H15 N3 O3 c1ccc(cc1)....
31 2R0U ic50 = 1 nM M54 C25 H22 N4 O2 c1cc(cc(c1....
32 1NVR Ki = 7.8 nM STU C28 H26 N4 O3 C[C@@]12[C....
33 3OT8 ic50 = 0.009 uM MI5 C19 H22 N8 S Cc1cc(sn1)....
34 2YM4 ic50 = 1.5 uM 4YM C21 H22 N6 O3 CCOC(=O)c1....
35 4HYI ic50 = 2 nM 1AO C21 H20 N6 O S c1ccc2c(c1....
36 4RVL ic50 = 41.7 nM 3XL C17 H10 N4 O c1ccc(c(c1....
37 5JQ5 Kd = 2341 nM I74 C22 H30 N6 O CC(C)c1cnn....
38 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
39 1V1K Ki = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)C[C@H....
40 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
41 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
42 3PXZ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
43 1W0X - OLO C15 H18 N6 O Cn1cnc2c1n....
44 2XMY Ki = 0.11 nM CDK C18 H21 N5 O4 S2 CC1=C(SC(=....
45 2UZO ic50 = 18 uM C62 C14 H10 N2 O5 S2 c1cc(ccc1c....
46 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
47 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
48 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
49 5JQ8 - I73 C22 H30 N6 O CC(C)c1cnn....
50 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
51 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
52 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
53 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
54 1PXP Ki ~ 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
55 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]/N=C/1N....
56 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
57 5K4J - 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
58 3PJ8 - 404 C19 H26 N6 O CC[C@H](CO....
59 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
60 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
61 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
62 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
63 5IEX - 6AF C17 H21 Br N4 O3 S C[C@H]([C@....
64 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
65 4O0X Ki = 0.068 uM 2OQ C19 H20 N6 O Cc1nc2ccc(....
66 4O0Y Ki = 0.06 uM 2OO C17 H19 N7 O CCNc1nc2cc....
67 5LI9 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
68 3A8W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
69 2F2U - M77 C14 H17 N3 O2 S c1cc2cnccc....
70 3OWL ic50 = 0.67 uM 19E C16 H11 Cl N2 O Cc1cnc(c2c....
71 5OYF - B4Q C25 H27 N3 CCc1ccccc1....
72 5H8G ic50 < 0.003 uM 5Y4 C23 H29 N9 O CC(=O)Nc1c....
73 5OS7 - A8Q C16 H19 Cl N CC(C)c1ccc....
74 5OTZ Kd = 6.5 uM AUT C15 H15 Cl2 N CCc1ccccc1....
75 5OUM - AVK C18 H18 Cl N3 c1ccc(cc1)....
76 5B0X ic50 = 0.02 uM HCK C18 H14 N2 O4 S COc1ccc(cc....
77 5MO8 Kd = 1.64 uM C98 C26 H26 Cl N3 O4 c1ccc(cc1)....
78 3R1N - 05B C22 H21 N5 O3 c1cc2c(cc1....
79 3BWJ ic50 = 2.6 uM ARX C28 H47 N15 O7 [H]/N=C(N)....
80 3AGL Ki = 16 nM A03 C37 H63 N17 O9 [H]/N=C(N)....
81 1RE8 Ki = 0.3 nM BD2 C27 H26 N2 O6 c1ccc(c(c1....
82 1SZM ic50 = 6.35 uM BI4 C27 H26 N4 O2 C[N@]1CCC[....
83 1REJ Ki = 5 nM B1L C20 H22 N2 O5 c1cc(ccc1C....
84 2Z7Q - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
85 1MQ4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
86 5EW9 Ki < 0.01 nM 5VC C22 H21 Cl F N3 O3 S c1cc(nc(c1....
87 5ORY ic50 = 407 uM AY4 C9 H6 F2 N2 O c1c[nH]nc1....
88 4CEG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
89 5ORV Kd = 1297 uM A65 C6 H9 N O S3 CSc1c(c(sn....
90 5OS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
91 3DJ6 - AK6 C25 H24 N4 O3 S COc1ccc(cc....
92 5OSF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
93 2WQE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
94 6CPF - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
95 3FDN ic50 = 0.033 uM MMH C21 H22 N6 O3 Cc1c(c([nH....
96 3KXH - K66 C11 H9 Br4 N3 O2 CN(C)c1nc2....
97 4DGM ic50 = 1.2 uM AGI C15 H10 O5 c1cc(ccc1C....
98 3PVG - K68 C9 H4 Br4 N2 O2 c1nc2c(n1C....
99 1ZOG Ki = 0.07 uM K37 C8 H4 Br4 N2 S CSc1[nH]c2....
100 2PVJ Ki = 0.005 uM P44 C19 H21 N7 c1ccc(cc1)....
101 1P4F - DRG C12 H11 N3 c1ccc-2c(c....
102 4TXC Kd = 0.24 uM 38G C24 H27 N5 O3 CN(C)CCN[C....
103 2YAK ic50 = 2 nM OSV C27 H31 F N4 O3 Ru S4 CC(C)Oc1cc....
104 5AUY ic50 = 1.6 uM MRI C15 H10 O7 c1cc(c(cc1....
105 2HY0 ic50 = 0.65 nM 306 C26 H25 N5 O c1cc2c(cc1....
106 5LVO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
107 4XX9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
108 2XCK ic50 = 713 nM MH4 C29 H33 N9 O Cc1cc(ccn1....
109 3QD4 ic50 = 0.00000001 M 3Q6 C22 H30 N8 O2 C[C@@H]1C[....
110 3RCJ ic50 = 0.8 uM 3RC C16 H13 N5 c1ccc(cc1)....
111 2PE0 - 39Z C14 H12 N2 O2 CC(c1ccc[n....
112 4CT2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
113 5ACK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
114 3HRC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
115 5LVM - ADE C5 H5 N5 c1[nH]c2c(....
116 5MRD ic50 = 36.4 uM S26 C18 H13 Cl N2 O4 S2 CCOC(=O)C1....
117 3ION ic50 = 8 nM 8H1 C28 H27 N5 O3 COc1cc2c3c....
118 1UU7 ic50 = 14 uM BI2 C27 H26 N4 O2 C[N@@]1CCC....
119 3HRF Kd = 10.3 uM P47 C17 H15 Cl O2 c1ccc(cc1)....
120 3QCS ic50 = 0.00000001 M 3Q1 C15 H17 N7 O c1cc2c(cc1....
121 1H1W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
122 4AW1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
123 2PE2 - 464 C28 H30 N6 O3 c1cc(cc(c1....
124 3H9O ic50 = 70 nM 9BD C19 H19 N5 O3 COCCOc1cc2....
125 3QD3 ic50 = 0.00000001 M 3Q5 C22 H30 N8 O2 C[C@H]1CC[....
126 1OKY ic50 = 6.5 nM STU C28 H26 N4 O3 C[C@@]12[C....
127 3IOP ic50 = 17 nM 8I1 C28 H27 N5 O3 COc1cc2c3c....
128 2PE1 ic50 = 6 nM 517 C15 H14 N4 O2 CC(c1ccc[n....
129 3RWP Ki = 0.6 nM ABQ C24 H24 F N7 O2 CC(C)n1cc(....
130 3NAX - MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
131 3QCQ ic50 = 0.00000001 M 3Q0 C13 H15 N7 CCNc1cc(nc....
132 4A06 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
133 2R5T - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
134 2JDO ic50 = 0.23 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
135 1O6K - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
136 3E88 Ki = 2 nM G96 C24 H27 N7 O3 CCn1c2cc(n....
137 2UW9 - GVP C20 H20 Cl N3 c1cc(ccc1c....
138 2JDR ic50 = 0.5 nM L20 C24 H23 N5 O Cc1c2cc(cc....
139 3D0E ic50 = 13 nM G93 C21 H27 N7 O3 CCn1c2c(cn....
140 4QMX ic50 = 11 uM H8H C27 H32 Cl N5 O5 CN1CCN(CC1....
141 4QMT ic50 = 0.01 uM H1N C29 H32 N4 O3 S CCS(=O)(=O....
142 4QMM ic50 = 0.46 uM 35R C19 H23 N7 O2 c1cc2c(cc1....
143 4QMU ic50 = 1.3 uM SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
144 4W8E - 3JB C20 H17 N7 O2 Cc1nc(no1)....
145 4QMZ ic50 = 0.21 uM B49 C22 H27 F N4 O2 CCN(CC)CCN....
146 3UBD Kd = 2.9 uM SL0 C25 H24 O12 CC1C(C(C(C....
147 4GUE Kd = 5.8 uM QCT C21 H20 O11 C[C@H]1[C@....
148 3G51 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
149 4NUS ic50 = 0.005 uM 2NK C22 H21 F2 N3 O CN1CCN(CC1....
150 4NW6 ic50 = 0.004 uM 2NS C23 H20 N4 O4 COc1cc(cc(....
151 4NW5 ic50 = 0.02 uM 2NR C23 H21 F N2 O5 COc1cccc(c....
152 1U5R - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
153 2W7X ic50 = 138 nM D1A C18 H17 N7 O3 [H]/N=C(N)....
154 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
155 2YCF ic50 = 0.7 nM YCF C19 H24 N10 O3 [H]/N=C(N/....
156 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
157 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O C/C(=NNC1=....
158 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
159 4BDB ic50 = 85.6 uM ODO C8 H9 N O3 C/C(=NO)/c....
160 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCC/C(=NNC....
161 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]/N=C(N)....
162 6CCY ic50 = 0.003 uM EX4 C29 H33 F4 N7 O C[C@@H]1CC....
163 3QKK - SMH C28 H38 N2 O7 S CCOCCN(C[C....
164 4EKL ic50 = 5 nM 0RF C24 H32 Cl N5 O2 C[C@@H]1C[....
165 3CQW ic50 = 42 nM CQW C12 H11 Cl N6 c1c(c2c([n....
166 4GV1 ic50 = 3 nM 0XZ C21 H25 Cl N6 O2 c1cc(ccc1[....
167 3MVH ic50 = 0.5 nM WFE C20 H22 F2 N6 O CCc1c[nH]c....
168 3MV5 ic50 = 180 nM XFE C11 H15 N5 Cc1c[nH]c2....
169 3QKL - SMR C29 H40 N4 O5 S CCOCC[N@@]....
170 5DH3 ic50 = 38.1 nM 5BS C17 H16 N6 O3 S2 CN1c2ccsc2....
171 5OTF - AQ5 C20 H24 N6 c1cnc2c(c1....
172 3TKU ic50 = 1.92 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
173 3V8S ic50 = 0.65 uM 0HD C16 H16 N4 O c1ccc(cc1)....
174 4OTH ic50 = 9 nM DRN C25 H23 N5 O2 S [H]/N=C(/N....
175 5OOI - 9YE C23 H25 N O3 CC(C)n1c2c....
176 6CQF ic50 = 0.0045 uM F97 C21 H26 F2 N8 CC(C)n1c2c....
177 3A62 - STU C28 H26 N4 O3 C[C@@]12[C....
178 3WF9 ic50 = 567 nM FS7 C24 H25 N3 O5 S C[C@H]1CCc....
179 3WF8 ic50 = 232 nM F76 C23 H23 N3 O5 S c1ccc2c(c1....
180 4L3L - 5FI C19 H21 F3 N6 CCc1cncnc1....
181 3WE4 ic50 = 15 nM 5FI C19 H21 F3 N6 CCc1cncnc1....
182 3WF5 ic50 = 81 nM FZ8 C17 H17 N7 c1ccc2c(c1....
183 3FY0 ic50 = 1090 nM DW1 C23 H13 N3 O4 Ru C1=CC(C=C1....
184 4EQU - G6I C30 H24 F3 N7 O2 Cc1ccc(cc1....
185 4OBQ ic50 = 0.065 uM 2QT C20 H20 F N5 O c1cc2c(cc1....
186 4U43 Kd = 48 uM 3D8 C11 H9 N5 c1cc(cnc1)....
187 4OBP ic50 = 0.017 uM 2QU C12 H8 F N5 c1cc(nc2c1....
188 6C0T ic50 = 43 nM EE4 C30 H30 F N5 O5 CCCOc1ccc(....
189 6BXI - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
190 3DV3 - MEK C18 H18 F3 I N2 O5 c1cc(c(cc1....
191 3EQD - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
192 5F9E ic50 = 0.46 nM 5VS C23 H21 N5 O2 CC1(NC(=O)....
193 1XJD Ki = 0.33 nM STU C28 H26 N4 O3 C[C@@]12[C....
194 5DBX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
195 3TXO ic50 = 9 nM 07U C17 H19 N5 CC(C)(CNc1....
196 4USF - 6UI C19 H15 N3 O COc1ccc2cc....
197 2J51 - DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
198 1V0P ic50 = 0.13 uM PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
199 1V0O ic50 = 5.5 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2QU; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 2QU 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4U44; Ligand: 3D9; Similar sites found with APoc: 365
This union binding pocket(no: 1) in the query (biounit: 4u44.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1CEB AMH None
2 2YW2 ATP 1.50602
3 5OLK DTP 1.80723
4 1Z2P I3S 1.85185
5 1Z2P ACP 1.85185
6 5C4L 4XR 1.86916
7 5C4L SIS 1.86916
8 1GSA ADP 1.89873
9 4OCJ NDG 2.10843
10 2IF8 ADP 2.10843
11 1PK8 ATP 2.10843
12 3SUC ATP 2.10843
13 2CFM AMP 2.10843
14 4Z87 5GP 2.10843
15 3K5I ADP 2.10843
16 2ZYI STE 2.10843
17 4TQK NAG 2.10843
18 5XNC MTA 2.10843
19 1AUX AGS 2.2508
20 3TDV GDP 2.28758
21 5C1P ADP 2.28758
22 5C1P DAL DAL 2.28758
23 2XOC ADP 2.29885
24 5DZT AMP 2.40964
25 1S68 AMP 2.40964
26 1EHI ADP 2.40964
27 5HP8 PYR 2.41935
28 4NZN ANP 2.42424
29 4NZN 2OU 2.42424
30 4DFU QUE 2.48447
31 2ET1 GLV 2.48756
32 5CGE 51F 2.52708
33 4D52 GXL 2.53968
34 1OVD ORO 2.57235
35 1OVD FMN 2.57235
36 5WBF LAC 2.59259
37 4ZS4 ATP 2.60586
38 5GZ9 ANP 2.62295
39 3WVR AMP 2.68456
40 3KAL ADP 2.71084
41 5K8P 6R8 2.71084
42 1M0W ANP 2.71084
43 3VSV XYS 2.71084
44 6FL8 ADP 2.71084
45 6FL8 TIY 2.71084
46 4O4F IHP 2.82258
47 4O4F ATP 2.82258
48 3PDT ADP 2.90909
49 4R78 AMP 2.91262
50 4CYI ATP 3.01205
51 3PN1 IVH 3.01205
52 3DNT ATP 3.01205
53 3TII ANP 3.01205
54 1I7L ATP 3.23625
55 4B1M FRU FRU 3.24324
56 4OUJ LBT 3.25733
57 1IOW PHY 3.26797
58 1IOW ADP 3.26797
59 5MW8 ATP 3.31325
60 3X01 AMP 3.31325
61 2V58 LZJ 3.31325
62 3PAK MAN 3.31325
63 3CH6 311 3.31325
64 3CH6 NAP 3.31325
65 2YRX AMP 3.32594
66 1GU3 BGC BGC BGC BGC BGC 3.3557
67 1SB8 UD2 3.40909
68 4CC6 L5Y 3.45912
69 3RGA LSB 3.53357
70 3VPC ADP 3.5461
71 3VPB ADP 3.57143
72 3VPB GLU 3.57143
73 5I35 ANP 3.61446
74 6EOM ALA LYS 3.61446
75 3I0O ADP 3.61446
76 4UWH JXM 3.61446
77 2HGS ADP 3.61446
78 3LU1 NAD 3.61446
79 4B1L FRU 3.63636
80 4LH7 1X8 3.71517
81 2AOT 2PM 3.76712
82 2PYW ADP 3.91566
83 5OES ADP 3.91566
84 3VOT ADP 3.91566
85 5AE9 OKO 3.91566
86 1S9D AFB 3.91566
87 2VQD AP2 3.91566
88 5E5U MLT 4.0201
89 5HCF BGC 4.05904
90 6E8I PTR 4.14201
91 2AQX ATP 4.15225
92 2VPQ ANP 4.21687
93 5LXT ACP 4.21687
94 3BEO UDP 4.21687
95 5TDF ADP 4.32099
96 3HAV ATP 4.34783
97 3UDZ ADP 4.51807
98 4PU5 ANP 4.51807
99 4PZ6 GMP 4.51807
100 5FI4 5XV 4.51807
101 5ZCT ANP 4.57516
102 4GLW 0XT 4.59016
103 1JG3 ADN 4.68085
104 2ZL7 FUC GAL NGA 4.74576
105 5YK1 ANP 4.81928
106 5VLQ ANP 4.81928
107 2QK4 ATP 4.81928
108 2IO8 ADP 4.81928
109 3BP1 GUN 4.82759
110 1ONI BEZ 5.07246
111 3V4S ATP 5.12048
112 5EQY 5RA 5.23691
113 3TM0 ANP 5.32319
114 3TM0 B31 5.32319
115 1IA9 ANP 5.35714
116 3ETH ATP 5.42169
117 5K2M ADP 5.42169
118 1GPM AMP 5.42169
119 5AVF TAU 5.44747
120 2R7K ACP 5.72289
121 2R7K AMZ 5.72289
122 3WO0 ALA 5.72289
123 3WO0 ADP 5.72289
124 4CS9 AMP 5.82011
125 5TT6 ATP 5.83756
126 5OC1 ANN 6.0241
127 3ORQ ADP 6.0241
128 2BMB PMM 6.05505
129 4XYM A12 6.08696
130 4XZ3 ACP 6.08696
131 4OCV ANP 6.3253
132 1T36 ADP 6.3253
133 3FSY SCA 6.3253
134 4NFE BEN 6.32911
135 1TZD ADP 6.54545
136 2Q7D ANP 6.6474
137 3VPD ANP 6.76157
138 1W2D ADP 6.79245
139 1W2D 4IP 6.79245
140 4L2I NAD 6.84411
141 6CGD GNP 6.88525
142 6CGD AKN 6.88525
143 3TY5 ADP 6.92771
144 4U98 ACP 7.22892
145 6C1S EFV 7.22892
146 1N62 FAD 7.22892
147 4GYI ADP 7.83133
148 4FE2 ADP 7.83133
149 2GQR ADP 8.01688
150 2GQS ADP 8.01688
151 4MV1 ADP 8.13253
152 1TQP ATP 8.51064
153 3AIA SAM 8.53081
154 3W0O HY0 8.88252
155 3W0O ADP 8.88252
156 3WBF NAP 9.03614
157 4JD0 1KH 9.16335
158 2PUL ACP 9.63855
159 4WW7 AMP 9.96169
160 2BKK ADP 10.0592
161 4AZW ATP 10.241
162 1P6O HPY 10.559
163 2UYN 2KT 10.8527
164 2UYP PPI 10.8527
165 4Q5H ANP 10.9195
166 5X3R 7Y3 11.2195
167 5VZ0 ADP 11.4458
168 5YW5 ADE 11.7318
169 3OCP CMP 12.2302
170 1ZTH ADP 12.4031
171 1ZP9 ATP 12.4031
172 5C8W PCG 12.5874
173 5FS0 5JC 13.7441
174 1XVB BHL 14.1176
175 4OAV ACP 15.3614
176 4O1P ANP 15.3614
177 5CKW ANP 15.3614
178 1NBU PH2 15.9664
179 5IM3 DTP 18.0723
180 4IX4 ADP 21.0843
181 5MY8 RXZ 21.3855
182 4KBA 1QM 22.3565
183 5OKT 9XK 23.5669
184 4UX9 ANP 23.7952
185 4WHZ 3NL 24.0964
186 3PTG 932 24.0964
187 4IZY 1J2 24.3976
188 2CSN CKI 24.9158
189 4F4P 0SB 26.8072
190 4XH0 ADP 26.8072
191 2WU6 DKI 26.8072
192 4H3P ANP 26.8072
193 4H3Q ANP 27.1084
194 5BVE 4VG 27.1084
195 4LOO SB4 27.7108
196 1OUK 084 27.7108
197 2H8H H8H 28.012
198 1Y57 MPZ 28.012
199 6FYV 3NG 28.3133
200 3E7O 35F 28.3133
201 5AWM ANP 28.6145
202 5EKO N17 28.6145
203 5WNL STU 28.9157
204 3PP0 03Q 28.9157
205 4CRL C1I 28.9157
206 4IDT T28 29.2169
207 3SRV S19 29.2169
208 4Y93 746 29.2169
209 3TTI KBI 29.2169
210 5ZTN CUR 29.2169
211 5T8O 76Z 29.2264
212 5X8I SQZ 29.5181
213 4FL3 ANP 29.5181
214 6G33 5ID 29.5181
215 5HCY 60D 29.6073
216 4OTH DRN 30.4217
217 3TXO 07U 30.4217
218 3LXN MI1 30.5031
219 3C1X CKK 30.7229
220 5UKL SIX 30.7229
221 1XJD STU 31.0241
222 5EOB 5QQ 31.0345
223 5U6C 7YS 31.1111
224 3F7Z 34O 31.3253
225 3ZRM ZRM 31.3253
226 6A1G 9OL 31.3253
227 1O9U ADZ 31.3253
228 4UXL 5P8 31.3665
229 4PNI KQQ 31.6265
230 4NM5 ADP 31.6265
231 2B9F ADP 31.6265
232 2B9H ADP 31.6265
233 2B9I ADP 31.6265
234 2B9J ADP 31.6265
235 4L9I 8PR 31.6265
236 3GC0 AMP 31.9149
237 2QCS ANP 31.9277
238 3IDB ANP 31.9277
239 3FHI ANP 31.9277
240 1RE8 BD2 31.9277
241 2GU8 796 31.9277
242 4GJ3 0XP 32.1192
243 4AT3 LTI 32.4415
244 2JLD AG1 32.5301
245 4ASE AV9 32.5301
246 4E1Z 0MX 32.646
247 2BPM 529 32.6861
248 1U59 STU 32.8313
249 6C0T EE4 32.8313
250 5QIN J2V 32.9114
251 1V0O INR 32.9861
252 3LXK MI1 33.0275
253 1K3A ACP 33.1104
254 5LI9 ACP 33.1325
255 5Y86 HRM 33.1325
256 4WOV 3SM 33.1325
257 4CFU 2WC 33.3333
258 4CLI 5P8 33.3333
259 6GWR FEW 33.3333
260 5TO8 7FM 33.3333
261 4E93 GUI 33.4337
262 3VHE 42Q 33.4337
263 4DC2 ADE 33.4337
264 2QLU ADE 33.4395
265 6GUE FB8 33.4437
266 3EKK GS2 33.5505
267 4BCM T7Z 33.5548
268 4BCQ TJF 33.5548
269 3BU5 ATP 33.6601
270 1IR3 ANP 33.6601
271 4BCN T9N 33.6667
272 4P5Z Q7M 33.7349
273 2XVD AS6 33.7748
274 2XMY CDK 33.8926
275 5LMK 6ZK 34.0067
276 5LPZ ADP 34.0361
277 6ES0 BW8 34.0361
278 4WB6 ATP 34.0361
279 4YMJ 4EJ 34.0361
280 3GC8 B45 34.0361
281 5C03 AGS 34.0361
282 4AG8 AXI 34.1772
283 1VJY 460 34.3234
284 4WB7 ATP 34.3373
285 4FF8 14S 34.3373
286 3UIM ANP 34.3558
287 1BYG STU 34.5324
288 5NKB 8ZT 34.6405
289 3KMW ATP 34.6863
290 3PLS ANP 34.8993
291 4TWP AXI 35.0554
292 5WO4 B7V 35.0993
293 6FYL 3NG 35.241
294 4YZC STU 35.241
295 5MJA 7O3 35.4098
296 3BZ3 YAM 35.5072
297 3O0G 3O0 35.6164
298 1UNH IXM 35.6164
299 3G5D 1N1 35.6643
300 5KO1 6UY 35.689
301 1JPA ANP 35.8974
302 2Y6O 1N1 36.0825
303 2OFV 242 36.1011
304 4CSV STI 36.3636
305 4BTK DTQ 36.4458
306 5FBN 5WF 36.5314
307 5JFS 6K0 36.6883
308 4EWH T77 36.7273
309 2HK5 1BM 36.747
310 3VRY B43 36.747
311 4QTB 38Z 36.747
312 2X2M X2M 36.9427
313 6C7Y ADP 37.0629
314 5JGA 6KC 37.3494
315 3NW7 LGV 37.3494
316 5H2U 1N1 37.3494
317 5USZ SKE 37.3702
318 6CZ3 FLJ 37.5
319 5JKG 6LF 37.6506
320 2OO8 RAJ 37.6506
321 3SXS PP2 37.6866
322 4WNK 453 37.9518
323 3PVW QRX 37.9518
324 4K33 ACP 37.9518
325 5LPB ADP 38.1757
326 1OPK P16 38.253
327 6GQM F8H 38.253
328 1ZY5 ANP 38.2838
329 4U0I 0LI 38.4127
330 6GU6 1QK 38.5542
331 5HQ0 LZ9 38.5542
332 5VC5 96M 38.5542
333 3KRL KRL 38.5542
334 3GQI ACP 38.5542
335 5UR1 YY9 38.5542
336 2WEL K88 38.8554
337 5HES 032 39.4137
338 3H9R TAK 39.4578
339 4Y85 499 39.759
340 6GIN IR2 39.759
341 3HMO STU 40.0602
342 2PVF ACP 40.3614
343 3RI1 3RH 40.3614
344 5TA6 79D 40.6627
345 3FC2 IBI 40.6627
346 1CM8 ANP 40.9639
347 4I6H 1C8 41.2338
348 5CEO 50D 41.3333
349 4NST ADP 41.5663
350 4BHN BH9 41.8675
351 3GNI ATP 41.8675
352 6E2O S0L 41.8675
353 5EFQ ADP 42.4699
354 2F2U M77 42.7711
355 5N87 N66 42.8115
356 5LI1 ANP 43.0723
357 3ALN ANP 43.0723
358 4RFM 3P6 43.2331
359 3E8N ATP 44.2771
360 3E8N VRA 44.2771
361 2A19 ANP 47.1831
362 2F57 23D 47.3186
363 5EH0 5NW 47.6744
364 3SLS ANP 47.6974
365 5DBX ANP 47.8916
Pocket No.: 2; Query (leader) PDB : 4U44; Ligand: 3D9; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4u44.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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