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Receptor
PDB id Resolution Class Description Source Keywords
2JDR 2.3 Å EC: 2.7.11.1 STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH THE INHIBITOR A- 443654 HOMO SAPIENS WNT SIGNALING PATHWAY SERINE/THREONINE-PROTEIN KINASE KINASE TRANSFERASE ATP-BINDING PHOSPHORYLATION NUCLEOTIDE-BINDING ALTERNATIVE SPLICING
Ref.: A STRUCTURAL COMPARISON OF INHIBITOR BINDING TO PKB, PKA AND PKA-PKB CHIMERA J.MOL.BIOL. V. 367 882 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY ARG PRO ARG THR THR SER PHE ALA GLU C:3;
Valid;
none;
submit data
1122.23 n/a O=C([...
L20 A:1480;
Valid;
none;
ic50 = 0.5 nM
397.472 C24 H23 N5 O Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JDR 2.3 Å EC: 2.7.11.1 STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH THE INHIBITOR A- 443654 HOMO SAPIENS WNT SIGNALING PATHWAY SERINE/THREONINE-PROTEIN KINASE KINASE TRANSFERASE ATP-BINDING PHOSPHORYLATION NUCLEOTIDE-BINDING ALTERNATIVE SPLICING
Ref.: A STRUCTURAL COMPARISON OF INHIBITOR BINDING TO PKB, PKA AND PKA-PKB CHIMERA J.MOL.BIOL. V. 367 882 2007
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 1O6L - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
2 2JDO ic50 = 0.23 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
3 1O6K - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
4 3E88 Ki = 2 nM G96 C24 H27 N7 O3 CCn1c2cc(n....
5 2UW9 - GVP C20 H20 Cl N3 c1cc(ccc1c....
6 2JDR ic50 = 0.5 nM L20 C24 H23 N5 O Cc1c2cc(cc....
7 3D0E ic50 = 13 nM G93 C21 H27 N7 O3 CCn1c2c(cn....
8 2X39 ic50 = 30 nM X39 C19 H21 Cl N6 O c1cc(ccc1C....
9 3E87 - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 1O6L - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
2 2JDO ic50 = 0.23 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
3 1O6K - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
4 3E88 Ki = 2 nM G96 C24 H27 N7 O3 CCn1c2cc(n....
5 2UW9 - GVP C20 H20 Cl N3 c1cc(ccc1c....
6 2JDR ic50 = 0.5 nM L20 C24 H23 N5 O Cc1c2cc(cc....
7 3D0E ic50 = 13 nM G93 C21 H27 N7 O3 CCn1c2c(cn....
8 2X39 ic50 = 30 nM X39 C19 H21 Cl N6 O c1cc(ccc1C....
9 3E87 - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
10 6CCY ic50 = 0.003 uM EX4 C29 H33 F4 N7 O C[C@@H]1CC....
11 3QKK - SMH C28 H38 N2 O7 S CCOCCN(C[C....
12 4EKL ic50 = 5 nM 0RF C24 H32 Cl N5 O2 C[C@@H]1C[....
13 3CQW ic50 = 42 nM CQW C12 H11 Cl N6 c1c(c2c([n....
14 4GV1 ic50 = 3 nM 0XZ C21 H25 Cl N6 O2 c1cc(ccc1[....
15 3MVH ic50 = 0.5 nM WFE C20 H22 F2 N6 O CCc1c[nH]c....
16 3MV5 ic50 = 180 nM XFE C11 H15 N5 Cc1c[nH]c2....
17 3QKL - SMR C29 H40 N4 O5 S CCOCC[N@@]....
18 6BUU - GLY ARG PRO ARG THR THR ZXW PHE ALA GLU n/a n/a
19 3QKM ic50 = 0.038 uM SM9 C31 H43 N5 O4 S CCOCCN(C[C....
20 3CQU ic50 = 151 nM CQU C15 H13 N7 Cc1[nH]c(n....
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: GLY ARG PRO ARG THR THR SER PHE ALA GLU; Similar ligands found: 216
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY ARG PRO ARG THR THR SER PHE ALA GLU 1 1
2 LEU PRO SER PHE GLU THR ALA LEU 0.612245 0.867647
3 LEU PRO PHE GLU ARG ALA THR VAL MET 0.611111 0.888889
4 LEU PRO PHE GLU ARG ALA THR ILE MET 0.593939 0.876712
5 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.567073 0.928571
6 VAL MET ALA PRO ARG THR LEU PHE LEU 0.561728 0.863014
7 GLY ARG PRO ARG THR THR ZXW PHE ALA GLU 0.560976 0.741573
8 ALA PHE ARG ILE PRO LEU THR ARG 0.56051 0.927536
9 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.552147 0.8
10 ARG THR PHE SER PRO THR TYR GLY LEU 0.552147 0.890411
11 1IP CYS PHE SER LYS PRO ARG 0.54375 0.927536
12 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.5375 0.927536
13 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.535948 0.926471
14 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.533333 0.942029
15 GLY PHE ARG PRO 0.533333 0.848485
16 LEU PRO PHE ASP ARG THR THR ILE MET 0.532934 0.890411
17 DPN PRO DAR DTH NH2 0.531915 0.909091
18 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.531073 0.792208
19 ARG PRO MET THR PHE LYS GLY ALA LEU 0.528736 0.876712
20 VAL PRO LEU ARG PRO MET THR TYR 0.518293 0.853333
21 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.511494 0.863014
22 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.511494 0.914286
23 ASP ILE ALA TYR TYR THR SER GLU PRO 0.509804 0.808219
24 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.509317 0.969697
25 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.508876 0.805556
26 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.502857 0.915493
27 LEU PRO PHE GLU LYS SER THR VAL MET 0.5 0.833333
28 SER SER ILE GLU PHE ALA ARG LEU 0.5 0.753623
29 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.5 0.720588
30 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.497355 0.853333
31 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.497076 0.835616
32 MET CYS PRO ARG MET THR ALA VAL MET 0.496933 0.861111
33 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.494186 0.780822
34 THR PRO ARG VAL THR GLY GLY GLY ALA MET 0.493827 0.863014
35 ALA GLN PHE SER ALA SER ALA SER ARG 0.493056 0.787879
36 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.491429 0.901408
37 ARG SEP PRO VAL PHE SER 0.490798 0.835616
38 SER ALA PRO ASP THR ARG PRO ALA 0.490323 0.941176
39 SER GLU ILE GLU PHE ALA ARG LEU 0.490323 0.73913
40 PHE ASN ARG PRO VAL 0.490066 0.882353
41 DPN PRO DAR ILE NH2 0.489655 0.808824
42 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.488095 0.902778
43 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.487179 0.75
44 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.486339 0.866667
45 ARG PHE PRO LEU THR PHE GLY TRP 0.486034 0.876712
46 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.485714 0.927536
47 SER SER TYR ARG ARG PRO VAL GLY ILE 0.48503 0.902778
48 LYS THR PHE PRO PRO THR GLU PRO LYS 0.484663 0.880597
49 ILE SER PRO ARG THR LEU ASP ALA TRP 0.483696 0.90411
50 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.479769 0.810811
51 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.47929 0.767123
52 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.478788 0.830986
53 DPN PRO ARG 0.478261 0.818182
54 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.477707 0.882353
55 ARG TYR PRO LEU THR PHE GLY TRP 0.475676 0.853333
56 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.475138 0.890411
57 ARG PRO MET THR TYR LYS GLY ALA LEU 0.475138 0.842105
58 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.475 0.876712
59 ARG GLY PRO GLY CYS ALA PHE VAL THR ILE 0.474576 0.914286
60 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.473684 0.821918
61 ILE THR ASP GLN VAL PRO PHE SER VAL 0.473054 0.855072
62 CYS THR PRO SER ARG 0.472603 0.910448
63 LEU SER SER PRO VAL THR LYS SER PHE 0.472393 0.852941
64 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.471591 0.853333
65 ARG VAL ALA SER PRO THR SER GLY VAL 0.471338 0.940298
66 GLY PHE GLU PRO 0.470588 0.757576
67 GLY ASN PHE LEU GLN SER ARG 0.470588 0.768116
68 DPN PRO DAR CYS NH2 0.468966 0.80597
69 ARG ARG ARG GLU ARG SER PRO THR ARG 0.468354 0.954545
70 LYS PRO VAL LEU ARG THR ALA 0.468354 0.897059
71 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.467066 0.855072
72 ALA PRO ASP THR ARG PRO 0.466667 0.926471
73 ALA MET ALA PRO ARG THR LEU LEU LEU 0.465409 0.835616
74 ALA PRO ASP THR ARG PRO ALA PRO 0.464052 0.926471
75 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.463687 0.902778
76 GLY MET PRO ARG GLY ALA 0.463576 0.791667
77 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.463277 0.90411
78 TYR PRO LYS ARG ILE ALA 0.462963 0.84507
79 ALA ARG THR GLU LEU TYR ARG SER LEU 0.462025 0.760563
80 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.461538 0.72
81 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.461111 0.927536
82 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.461078 0.842857
83 HIS HIS ALA SER PRO ARG LYS 0.458333 0.842857
84 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.458333 0.716216
85 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.458101 0.810127
86 LEU PRO PHE ASP LYS SER THR ILE MET 0.457627 0.821918
87 GLY ARG PHE GLN VAL THR 0.456376 0.731343
88 ALA ARG MLZ SER ALA PRO ALA THR 0.45625 0.887324
89 LEU GLU LYS ALA ARG GLY SER THR TYR 0.45614 0.788732
90 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.453125 0.878378
91 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.452941 0.898551
92 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.451807 0.763158
93 GLY VAL VAL ALA SER GLN PRO ALA ARG VAL 0.45098 0.820895
94 SER ARG ASP HIS SER ARG THR PRO MET 0.449438 0.878378
95 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.449102 0.833333
96 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.448052 0.797101
97 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.447205 0.830986
98 GLU THR VAL ARG PHE GLN SER ASP 0.447205 0.776119
99 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.446429 0.739726
100 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.446429 0.739726
101 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.446237 0.797468
102 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.445783 0.9
103 LEU PHE GLY TYR PRO VAL TYR VAL 0.445122 0.739726
104 PRO SER ILE ASP ARG SER THR LYS PRO 0.444444 0.927536
105 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.443787 0.813333
106 PHE PRO THR LYS ASP VAL ALA LEU 0.443787 0.867647
107 ASN ARG PRO ILE LEU SER LEU 0.443038 0.885714
108 LEU PRO PHE ASP LYS THR THR ILE MET 0.442529 0.808219
109 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.442529 0.901408
110 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.442529 0.805556
111 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.442424 0.802817
112 SER PRO ILE VAL PRO SER PHE ASP MET 0.441176 0.797297
113 ARG VAL LEU PHE GLU ALA MET 0.440994 0.666667
114 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.440994 0.898551
115 ARG VAL ALA SEP PRO THR SER GLY VAL 0.440476 0.863014
116 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.440252 0.898551
117 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.440217 0.878378
118 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.439394 0.855263
119 SER HIS PRO ARG PRO ILE ARG VAL 0.43787 0.875
120 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.437086 0.720588
121 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.436047 0.794118
122 PRO ALA PRO PHE ALA SER ALA 0.435897 0.823529
123 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.435583 0.941176
124 GLY GLY CYS PHE SER LYS PRO LYS MYR 0.435028 0.816901
125 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.434524 0.797297
126 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.434286 0.716216
127 ASP ILE ASN TYS TYS THR SER GLU PRO 0.433735 0.681818
128 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.432584 0.743243
129 GLY THR SER SER PRO SER ALA ASP 0.432432 0.848485
130 ALA THR VAL ARG THR TYR SER CYS 0.432258 0.732394
131 PHE ASN PHE PRO GLN ILE THR 0.432099 0.802817
132 SER PRO LYS ARG ILE ALA 0.431373 0.895522
133 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.431034 0.791667
134 GLU ALA ASP PRO THR GLY HIS SER TYR 0.430939 0.847222
135 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.430303 0.842857
136 ARG VAL SER PRO SER THR SER TYR THR PRO 0.428571 0.814286
137 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.428571 0.794521
138 ASP ILE ASN TYR TYR THR SER GLU PRO 0.428571 0.797297
139 ASP ALA GLU PHE ARG HIS ASP 0.427632 0.712121
140 ACE GLN GLU ARG GLU VAL PRO CYS 0.426752 0.826087
141 ALA ASN SER ARG HIS PRO THR SER ILE ILE 0.426035 0.901408
142 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.426035 0.694444
143 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.426035 0.774648
144 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.426035 0.810811
145 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.425641 0.837838
146 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.42515 0.828571
147 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.425 0.838235
148 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.424731 0.808219
149 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.424242 0.846154
150 PRO SER TYR SEP PRO THR SEP PRO SER 0.424242 0.786667
151 ARG PRO LYS ARG ILE ALA 0.424051 0.838235
152 SAC ARG GLY THR GLN THR GLU 0.423841 0.761194
153 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.423077 0.768116
154 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.422886 0.842105
155 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.422857 0.819444
156 GLY SER ASP PRO PHE LYS 0.422078 0.863636
157 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.421875 0.88
158 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.421687 0.808219
159 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.421687 0.805556
160 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.421384 0.808824
161 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.421384 0.838235
162 GLN ALA SER TPO PRO ARG NIT 0.421348 0.802469
163 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.420513 0.857143
164 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.419753 0.767123
165 THR PRO ARG ARG SER MLZ SER ALA 0.419355 0.873239
166 GLU PRO GLY GLY SER ARG 0.418301 0.909091
167 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.41791 0.846154
168 ALA ARG SER HIS SEP TYR PRO ALA 0.417582 0.820513
169 GLY ASN TYR SER PHE TYR ALA LEU 0.417219 0.608108
170 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.417178 0.911765
171 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.416667 0.810811
172 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.416667 0.915493
173 ACE ALA ARG THR GLU VAL TYR NH2 0.416667 0.728571
174 ALA ALA ARG KCR SER ALA PRO ALA 0.416667 0.897059
175 ALA THR ARG ASN PHE SER GLY 0.416667 0.791045
176 SER THR SEP PRO THR PHE ASN LYS 0.41573 0.821918
177 THR PRO PRO SER PRO PHE 0.414966 0.850746
178 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.414773 0.913043
179 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.414773 0.805556
180 GLY ASP GLU VAL LYS VAL PHE ARG 0.414634 0.746269
181 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.414201 0.794521
182 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.414013 0.619718
183 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.412791 0.791667
184 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.412791 0.830986
185 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.412791 0.830986
186 GLU PHE SER PRO 0.412587 0.818182
187 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.4125 0.681159
188 PHE SER ALA PTR PRO SER GLU GLU ASP 0.412121 0.74026
189 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.412088 0.734177
190 ACE GLU ALA GLN THR ARG LEU 0.410596 0.695652
191 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.410405 0.643678
192 5JP PRO LYS ARG ILE ALA 0.409396 0.855072
193 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.409357 0.684932
194 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.409357 0.746835
195 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.406593 0.780822
196 GLU ARG THR ILE PRO ILE THR ARG GLU 0.40625 0.897059
197 N7P THR SEP PRO SER TYR SET 0.406061 0.766234
198 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.405882 0.816901
199 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.405714 0.740741
200 PRO THR GLU PUK ARG GLU 0.405714 0.838235
201 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.405405 0.794872
202 ILE MET ASP GLN VAL PRO PHE SER VAL 0.404494 0.794521
203 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.403409 0.875
204 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.403315 0.773333
205 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.402439 0.71831
206 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.402367 0.743243
207 PRO LEU GLU PSA ARG LEU 0.402367 0.852941
208 ARG ARG ALA SEP ALA PRO LEU PRO 0.402367 0.776316
209 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.402235 0.819444
210 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.402174 0.797297
211 ALA THR PRO PHE GLN GLU 0.401408 0.80303
212 GLU LYS PRO SER SER SER 0.401361 0.833333
213 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.401163 0.769231
214 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.401099 0.756757
215 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.4 0.855263
216 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.4 0.866667
Ligand no: 2; Ligand: L20; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 L20 1 1
2 SS3 0.67033 0.954545
3 SS4 0.634409 0.875
4 SS5 0.544643 0.84
5 4EA 0.524752 0.8
6 EAZ 0.417476 0.875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JDR; Ligand: GLY ARG PRO ARG THR THR SER PHE ALA GLU; Similar sites found with APoc: 485
This union binding pocket(no: 1) in the query (biounit: 2jdr.bio1) has 53 residues
No: Leader PDB Ligand Sequence Similarity
1 3CBC DBS None
2 4NPT 017 None
3 4YEE 4CQ None
4 2CDP GAL AAL GAL AAL GAL AAL None
5 1Q19 SSC 1.16959
6 1HXD BTN 1.24611
7 2FCU AKG 1.27796
8 2IO8 ADP 1.46199
9 3V4S ATP 1.46199
10 3K5I ADP 1.46199
11 3ZGJ RMN 1.46199
12 5HWV MBN 1.53846
13 1Q8Q MAN MMA 1.5873
14 4GYI ADP 1.75439
15 5MW8 ATP 1.75439
16 5MRH Q9Z 1.75439
17 2VPQ ANP 1.75439
18 3TII ANP 1.75439
19 5IM3 DTP 1.75439
20 4D86 ADP 1.75439
21 1F9V ADP 1.75439
22 5COU ATP 1.76471
23 4LXH C1E 1.80505
24 4TWL ASC 2.03252
25 2VQD AP2 2.04678
26 4ISS TAR 2.04678
27 6F5W KG1 2.04678
28 2HGS ADP 2.04678
29 5OLK DTP 2.04678
30 2QHS OCA 2.1097
31 3VPC ADP 2.12766
32 2HJR APR 2.13415
33 1ONI BEZ 2.17391
34 2BS5 BGC GAL FUC 2.22222
35 2DVZ GLU 2.2293
36 4R78 AMP 2.26537
37 1IOW ADP 2.28758
38 1IOW PHY 2.28758
39 1ZTH ADP 2.32558
40 1ZP9 ATP 2.32558
41 3UDZ ADP 2.33918
42 5VLQ ANP 2.33918
43 6FL8 ADP 2.33918
44 6FL8 TIY 2.33918
45 3B6R ADP 2.33918
46 2QS8 MET 2.33918
47 2Q7D ANP 2.33918
48 1NLM UD1 2.33918
49 4BG4 ADP 2.33918
50 2ZL7 FUC GAL NGA 2.37288
51 2QHV OC9 2.38095
52 4MOB ADP 2.40964
53 5A96 GTP 2.40964
54 3ZJX BOG 2.42215
55 1SDW IYT 2.54777
56 3KYF 5GP 5GP 2.5974
57 5C1P ADP 2.61438
58 5C1P DAL DAL 2.61438
59 5GZ9 ANP 2.62295
60 5I35 ANP 2.63158
61 5KJW 53C 2.63158
62 3DNT ATP 2.63158
63 5YJS SAL 2.63158
64 2R5V HHH 2.63158
65 1F52 ADP 2.63158
66 1VRP ADP 2.63158
67 4CU1 71S 2.63158
68 3TM0 ANP 2.6616
69 3TM0 B31 2.6616
70 1ULE GLA GAL NAG 2.66667
71 3NZ1 3NY 2.68199
72 1TQP ATP 2.83688
73 4HIA FMN 2.84091
74 2PYW ADP 2.92398
75 5UQD AKG 2.92398
76 3ORQ ADP 2.92398
77 3KAL ADP 2.92398
78 5ZCT ANP 2.94118
79 6CGD AKN 2.95082
80 6CGD GNP 2.95082
81 4ZNO SUC 2.98507
82 2V2G BEZ 3.00429
83 2WKQ FMN 3.01205
84 1DNA CB3 3.0303
85 1ZPR CB3 3.0303
86 1P0Z FLC 3.05344
87 5F6U 5VK 3.18471
88 1PK8 ATP 3.21637
89 1GQG DCD 3.21637
90 3HIY UTP 3.21637
91 3TY5 ADP 3.21637
92 5AE9 OKO 3.21637
93 6EZ6 C5Z 3.21637
94 1I7L ATP 3.23625
95 3TDV GDP 3.26797
96 1OBD ATP 3.26797
97 1TZD ADP 3.27273
98 1KYQ NAD 3.28467
99 5HZX 2GE 3.40909
100 3ZW2 NAG GAL FUC 3.44828
101 6FA4 D1W 3.46821
102 1GSA ADP 3.48101
103 3WVR AMP 3.50877
104 5T96 79J 3.50877
105 2P4S DIH 3.50877
106 5E5U MLI 3.51759
107 1AUX AGS 3.53698
108 1ZDQ MSM 3.57143
109 4R38 RBF 3.57143
110 4WJT NAG 3.59281
111 5V2L ATP 3.59281
112 5DYO FLU 3.77358
113 5H9P TD2 3.79747
114 2IF8 ADP 3.80117
115 4OCV ANP 3.80117
116 3VOT ADP 3.80117
117 4RF7 ARG 3.80117
118 4UWH JXM 3.80117
119 4OCJ NDG 3.80117
120 5BJZ MAL 3.80117
121 3I0O ADP 3.83481
122 5H9Q TD2 3.87097
123 2GTF P1R 3.88889
124 4RDL FUC GAL NDG FUC 3.8961
125 4ZS4 ATP 3.90879
126 4GK9 MAN BMA MAN MAN MAN 3.94265
127 6DZN AE3 3.9823
128 1QD1 FON 4
129 1WAP TRP 4
130 1S68 AMP 4.01606
131 5LJI FMN 4.05405
132 5YK1 ANP 4.09357
133 2X3J ATP 4.09357
134 4JUI EGR 4.09357
135 5FXD H7Y 4.09357
136 5JM8 ATP 4.09357
137 1U6R ADP 4.09357
138 5IQZ MAL 4.09357
139 4ZGP ADP 4.09556
140 4IAW LIZ 4.25532
141 3FXU TSU 4.2623
142 4FE2 AIR 4.31373
143 4FE2 ADP 4.31373
144 4DFU QUE 4.34783
145 5ODY 9SK 4.34783
146 3PDT ADP 4.36364
147 3QSB 743 4.38596
148 5TT6 ATP 4.38596
149 4U98 ACP 4.40529
150 2VQ5 HBA 4.47761
151 3BP1 GUN 4.48276
152 2AQX ATP 4.49827
153 1W2D ADP 4.5283
154 1W2D 4IP 4.5283
155 3ZZQ TRP 4.61538
156 5C9J STE 4.62633
157 2GQR ADP 4.64135
158 5C4L 4XR 4.6729
159 5C4L SIS 4.6729
160 5DZT AMP 4.67836
161 1EHI ADP 4.67836
162 3JU6 ANP 4.67836
163 5W75 SUC 4.67836
164 3HQP OXL 4.67836
165 3QXV MTX 4.7619
166 4RFR RHN 4.92611
167 4DDY DN6 4.94297
168 2CYB TYR 4.95356
169 3X01 AMP 4.97076
170 4PZ6 GMP 4.97076
171 1LSH PLD 4.97076
172 2ET1 GLV 4.97512
173 5LKC FUC GLA A2G 5.19481
174 4QM9 CYS 5.20231
175 2HFN FMN 5.22876
176 4LIK CIT 5.26316
177 4WOE ADP 5.26316
178 1J3R 6PG 5.26316
179 1W96 S1A 5.26316
180 4XR8 MAL 5.29801
181 4D06 NAR 5.30035
182 3RGA LSB 5.30035
183 4CC6 L5Y 5.34591
184 3CF6 SP1 5.38922
185 3RK1 ATP 5.48523
186 5VZ0 ADP 5.55556
187 1E4E ADP 5.55556
188 5TDF ADP 5.55556
189 3ETH ATP 5.55556
190 5FI4 5XV 5.55556
191 1CY2 TMP 5.55556
192 4RYV ZEA 5.80645
193 4B0T ADP 5.84795
194 2GC0 PAN 5.85106
195 3T4L ZEA 5.92593
196 3EFS BTN 6.00858
197 4O4F ATP 6.04839
198 4O4F IHP 6.04839
199 4IRX INS 6.08108
200 3KYG 5GP 5GP 6.1674
201 4OUJ LBT 6.18893
202 3W0O HY0 6.30372
203 3W0O ADP 6.30372
204 5ACM MBT 6.30631
205 4BJ8 BTN 6.34921
206 1IA9 ANP 6.42857
207 2QK4 ATP 6.43275
208 1T36 ADP 6.43275
209 5KWY C3S 6.47773
210 2GJ3 FAD 6.66667
211 1NBU PH2 6.72269
212 5OES ADP 6.72515
213 5G48 1FL 6.72515
214 4NS0 PIO 6.76692
215 4LH7 1X8 6.81115
216 3SAO DBH 6.875
217 4WW7 AMP 6.89655
218 5DKK FMN 6.89655
219 2QL9 CIT 6.93642
220 4O1P ANP 7.01754
221 2YRX AMP 7.01754
222 1M0W ANP 7.01754
223 5VAD PRO 7.01754
224 5H9Y BGC BGC BGC BGC 7.01754
225 6D6L FY4 7.05882
226 5HWK BEZ 7.08333
227 3PN1 IVH 7.2327
228 4P25 FUC GAL NAG FUC 7.28477
229 4PU5 ANP 7.30994
230 2YW2 ATP 7.30994
231 2GUC MAN 7.37705
232 2GUD MAN 7.37705
233 2NUO BGC 7.37705
234 2HYQ MAN MAN 7.37705
235 2HYR BGC GLC 7.37705
236 2NU5 NAG 7.37705
237 6EBQ FMN 7.5
238 1A8U BEZ 7.58123
239 4IX4 ADP 7.60234
240 4AZW ATP 7.60234
241 2JK0 ASP 7.69231
242 4XYM A12 7.82609
243 4Q5H ANP 7.89474
244 1TLL FAD 7.89474
245 2FB3 5AD 7.94118
246 2AGC DAO 8.02469
247 4MV1 ADP 8.11966
248 4XZ3 ACP 8.26087
249 3RDV ASP SER TRP LYS ASP GLY CYS TYR 8.33333
250 5DQ8 FLF 8.33333
251 4Y24 TD2 8.44156
252 5HV7 RBL 8.47953
253 2YKL NLD 8.49057
254 1YRO UDP 8.74126
255 6C1S EFV 8.77193
256 5TZO 7V7 9.04255
257 5EJL C2E 9.06433
258 1Z2P I3S 9.25926
259 1Z2P ACP 9.25926
260 2GQS C2R 9.2827
261 2GQS ADP 9.2827
262 5KBF CMP 9.30233
263 2XG5 EC5 9.63303
264 2XG5 EC2 9.63303
265 3W6G FLC 9.72222
266 2PR5 FMN 9.84848
267 5IGI GMP 9.96678
268 5IGI ZIT 9.96678
269 1LFO OLA 10.1562
270 1F5F DHT 10.2439
271 4OFG PCG 10.4167
272 2BKK ADP 10.6509
273 4Z4P SAH 10.8434
274 2PUL ACP 11.1111
275 2P7Q GG6 11.2782
276 2FT0 ACO 11.4894
277 4NG2 OHN 11.5044
278 5CKW ANP 11.6959
279 4LO2 GAL BGC 11.8243
280 1KDK DHT 11.8644
281 1UPR 4IP 12.1951
282 5NLD LBT 12.2302
283 6GBV FMN 12.3288
284 5Y4R C2E 12.4138
285 4RT1 C2E 13.3929
286 1FWV SGA MAG FUC 13.4328
287 5K2M ADP 13.5531
288 4OAV ACP 13.7427
289 4GLW 0XT 13.7705
290 5LXT ACP 13.986
291 2QLU ADE 14.0127
292 3WG3 A2G GAL NAG FUC 14.0449
293 3HAV ATP 15.7191
294 3ZXE PGZ 15.7895
295 3VPD ANP 16.3701
296 5DJT FMN 16.5517
297 5EFW FMN 16.5517
298 4IZY 1J2 16.6667
299 4CYI ATP 16.6667
300 2CSN CKI 17.1717
301 4UX9 ANP 17.2515
302 4XMF HSM 17.9348
303 4XH0 ADP 18.7134
304 5BVE 4VG 19.0058
305 4H3Q ANP 19.0058
306 4H3P ANP 19.0058
307 5MY8 RXZ 19.2982
308 5H5O PCG 19.3798
309 3VHE 42Q 19.883
310 1BHX ASP PHE GLU GLU ILE 20
311 3VPB ADP 21.4286
312 2RDE C2E 22.3108
313 5C03 AGS 22.807
314 6GNO XDI 22.963
315 4WOV 3SM 24.6057
316 5KO1 6UY 25.4417
317 3T2W BTN 26.2295
318 4FL3 ANP 26.3158
319 5HCY 60D 26.8882
320 4BTK DTQ 27.003
321 5LPZ ADP 27.4096
322 3H9R TAK 27.5758
323 3UIM ANP 28.2209
324 3C1X CKK 28.3626
325 4CRL C1I 28.3626
326 5ZTN CUR 28.655
327 3PP0 03Q 28.6982
328 5QIN J2V 28.7975
329 1OPK P16 28.9474
330 6FYL 3NG 28.9474
331 2WU6 DKI 28.9474
332 6ES0 BW8 29.0221
333 4CLI 5P8 29.052
334 6FYV 3NG 29.0801
335 4E93 GUI 29.2398
336 3E7O 35F 29.2398
337 3LXK MI1 29.3578
338 5Y86 HRM 29.5322
339 4KBA 1QM 29.8246
340 5X8I SQZ 29.8246
341 3E8N VRA 29.912
342 3E8N ATP 29.912
343 6G33 5ID 30.0885
344 5EOB 5QQ 30.094
345 4QTB 38Z 30.117
346 4Y85 499 30.1205
347 3KRL KRL 30.1493
348 6A1G 9OL 30.7018
349 5LPB ADP 30.7432
350 3PLS ANP 30.8725
351 6GIN IR2 30.897
352 4E1Z 0MX 30.9278
353 3KMW ATP 30.9963
354 3VRY B43 31.2866
355 4P5Z Q7M 31.2866
356 5NKB 8ZT 31.3725
357 2OFV 242 31.4079
358 3LXN MI1 31.4465
359 3GQI ACP 31.5951
360 4AUA 4AU 31.5961
361 2PVF ACP 31.7365
362 6GWR FEW 31.746
363 5WO4 B7V 31.7881
364 2OO8 RAJ 32.1767
365 4K33 ACP 32.3077
366 5T8O 76Z 32.3782
367 5OKT 9XK 32.4841
368 1VJY 460 32.6733
369 4LOO SB4 32.7485
370 1OUK 084 32.7485
371 4UXL 5P8 32.9193
372 5EFQ ADP 33.0409
373 2H8H H8H 33.0409
374 1Y57 MPZ 33.0409
375 4GJ3 0XP 33.1126
376 3SRV S19 33.213
377 3NW7 LGV 33.2248
378 3HMO STU 33.3333
379 6C7Y ADP 33.5664
380 4U0I 0LI 33.6508
381 6GQM F8H 33.8415
382 3RI1 3RH 33.8658
383 4Y93 746 33.9181
384 3SXS PP2 33.9552
385 4F4P 0SB 34.0659
386 5UR1 YY9 34.0836
387 2XVD AS6 34.106
388 1K3A ACP 34.1137
389 3EKK GS2 34.202
390 4ASE AV9 34.2105
391 3BU5 ATP 34.3137
392 1IR3 ANP 34.3137
393 2Y6O 1N1 34.3643
394 5JFS 6K0 35.0649
395 5WNL STU 35.0877
396 1BYG STU 35.6115
397 4YZC STU 35.6725
398 5JKG 6LF 35.6913
399 1JPA ANP 35.8974
400 4EWH T77 36
401 5N87 N66 36.1022
402 4YMJ 4EJ 36.1842
403 4IDT T28 36.2573
404 5USZ SKE 36.3322
405 4BHN BH9 36.5269
406 5TA6 79D 36.5497
407 5HES 032 36.8078
408 5U6C 7YS 36.8254
409 3GNI ATP 36.8421
410 4TWP AXI 36.9004
411 1U59 STU 36.9338
412 2A19 ANP 36.9718
413 4AG8 AXI 37.0253
414 5MJA 7O3 37.0492
415 2G30 ALA ALA PHE 37.5
416 3FC2 IBI 37.6119
417 5CEO 50D 38
418 4NM5 ADP 38.0117
419 2JLD AG1 38.0117
420 4FF8 14S 38.0805
421 3ALN ANP 38.2263
422 3ZRM ZRM 38.3041
423 3F7Z 34O 38.3041
424 4CSV STI 38.5455
425 1O9U ADZ 38.5965
426 4AT3 LTI 38.796
427 2X2M X2M 38.8535
428 2B9H ADP 38.8889
429 2B9F ADP 38.8889
430 4ONA UW1 38.8889
431 2B9I ADP 38.8889
432 2B9J ADP 38.8889
433 5FBN 5WF 39.1144
434 3G5D 1N1 39.1608
435 3IGO ANP 39.1813
436 3HZT J60 39.4737
437 2V7O DRN 39.5833
438 2HK5 1BM 39.6296
439 4QMN DB8 40
440 5AWM ANP 40.0585
441 1CM8 ANP 40.0585
442 5TO8 7FM 40.0709
443 3BZ3 YAM 40.5797
444 4WHZ 3NL 40.6433
445 3SLS 77D 40.7895
446 3SLS ANP 40.7895
447 3PTG 932 40.9357
448 3TTI KBI 40.9357
449 3GC0 AMP 41.3374
450 2VZ6 FEF 41.5335
451 2WEL K88 41.5902
452 5H2U 1N1 41.9476
453 6CMJ F6J 42.0561
454 4NST ADP 42.1053
455 4NST AF3 42.1053
456 5EKO N17 42.1053
457 3GC8 B45 42.1622
458 4I6H 1C8 42.2078
459 5EH0 5NW 42.2481
460 5VC5 96M 42.9066
461 6CZ3 FLJ 43.9394
462 1ZY5 ANP 44.2244
463 4RFM 3P6 44.3609
464 2ZV2 609 44.9664
465 2BPM 529 44.9838
466 4AU8 Z3R 45.2703
467 5JGA 6KC 45.3968
468 2VN9 GVD 45.5149
469 4FG8 ATP 45.7143
470 4BCQ TJF 45.8472
471 4BCM T7Z 45.8472
472 4CFU 2WC 45.8746
473 4BCN T9N 46
474 6GUE FB8 46.0265
475 3O0G 3O0 46.2329
476 1UNH IXM 46.2329
477 2F57 23D 46.3722
478 5LMK 6ZK 46.4646
479 2WEI VGG 46.6899
480 4L9I 8PR 47.6608
481 4PNI KQQ 47.6608
482 1PHK ATP 47.9866
483 6GU6 1QK 48.0132
484 5HQ0 LZ9 48.0132
485 4WNK 453 49.1228
Pocket No.: 2; Query (leader) PDB : 2JDR; Ligand: L20; Similar sites found with APoc: 485
This union binding pocket(no: 2) in the query (biounit: 2jdr.bio1) has 53 residues
No: Leader PDB Ligand Sequence Similarity
1 3CBC DBS None
2 4NPT 017 None
3 4YEE 4CQ None
4 2CDP GAL AAL GAL AAL GAL AAL None
5 1Q19 SSC 1.16959
6 1HXD BTN 1.24611
7 2FCU AKG 1.27796
8 2IO8 ADP 1.46199
9 3V4S ATP 1.46199
10 3K5I ADP 1.46199
11 3ZGJ RMN 1.46199
12 5HWV MBN 1.53846
13 1Q8Q MAN MMA 1.5873
14 4GYI ADP 1.75439
15 5MW8 ATP 1.75439
16 5MRH Q9Z 1.75439
17 2VPQ ANP 1.75439
18 3TII ANP 1.75439
19 5IM3 DTP 1.75439
20 4D86 ADP 1.75439
21 1F9V ADP 1.75439
22 5COU ATP 1.76471
23 4LXH C1E 1.80505
24 4TWL ASC 2.03252
25 2VQD AP2 2.04678
26 4ISS TAR 2.04678
27 6F5W KG1 2.04678
28 2HGS ADP 2.04678
29 5OLK DTP 2.04678
30 2QHS OCA 2.1097
31 3VPC ADP 2.12766
32 2HJR APR 2.13415
33 1ONI BEZ 2.17391
34 2BS5 BGC GAL FUC 2.22222
35 2DVZ GLU 2.2293
36 4R78 AMP 2.26537
37 1IOW ADP 2.28758
38 1IOW PHY 2.28758
39 1ZTH ADP 2.32558
40 1ZP9 ATP 2.32558
41 3UDZ ADP 2.33918
42 5VLQ ANP 2.33918
43 6FL8 ADP 2.33918
44 6FL8 TIY 2.33918
45 3B6R ADP 2.33918
46 2QS8 MET 2.33918
47 2Q7D ANP 2.33918
48 1NLM UD1 2.33918
49 4BG4 ADP 2.33918
50 2ZL7 FUC GAL NGA 2.37288
51 2QHV OC9 2.38095
52 4MOB ADP 2.40964
53 5A96 GTP 2.40964
54 3ZJX BOG 2.42215
55 1SDW IYT 2.54777
56 3KYF 5GP 5GP 2.5974
57 5C1P ADP 2.61438
58 5C1P DAL DAL 2.61438
59 5GZ9 ANP 2.62295
60 5I35 ANP 2.63158
61 5KJW 53C 2.63158
62 3DNT ATP 2.63158
63 5YJS SAL 2.63158
64 2R5V HHH 2.63158
65 1F52 ADP 2.63158
66 1VRP ADP 2.63158
67 4CU1 71S 2.63158
68 3TM0 ANP 2.6616
69 3TM0 B31 2.6616
70 1ULE GLA GAL NAG 2.66667
71 3NZ1 3NY 2.68199
72 1TQP ATP 2.83688
73 4HIA FMN 2.84091
74 2PYW ADP 2.92398
75 5UQD AKG 2.92398
76 3ORQ ADP 2.92398
77 3KAL ADP 2.92398
78 5ZCT ANP 2.94118
79 6CGD AKN 2.95082
80 6CGD GNP 2.95082
81 4ZNO SUC 2.98507
82 2V2G BEZ 3.00429
83 2WKQ FMN 3.01205
84 1DNA CB3 3.0303
85 1ZPR CB3 3.0303
86 1P0Z FLC 3.05344
87 5F6U 5VK 3.18471
88 1PK8 ATP 3.21637
89 1GQG DCD 3.21637
90 3HIY UTP 3.21637
91 3TY5 ADP 3.21637
92 5AE9 OKO 3.21637
93 6EZ6 C5Z 3.21637
94 1I7L ATP 3.23625
95 3TDV GDP 3.26797
96 1OBD ATP 3.26797
97 1TZD ADP 3.27273
98 1KYQ NAD 3.28467
99 5HZX 2GE 3.40909
100 3ZW2 NAG GAL FUC 3.44828
101 6FA4 D1W 3.46821
102 1GSA ADP 3.48101
103 3WVR AMP 3.50877
104 5T96 79J 3.50877
105 2P4S DIH 3.50877
106 5E5U MLI 3.51759
107 1AUX AGS 3.53698
108 1ZDQ MSM 3.57143
109 4R38 RBF 3.57143
110 4WJT NAG 3.59281
111 5V2L ATP 3.59281
112 5DYO FLU 3.77358
113 5H9P TD2 3.79747
114 2IF8 ADP 3.80117
115 4OCV ANP 3.80117
116 3VOT ADP 3.80117
117 4RF7 ARG 3.80117
118 4UWH JXM 3.80117
119 4OCJ NDG 3.80117
120 5BJZ MAL 3.80117
121 3I0O ADP 3.83481
122 5H9Q TD2 3.87097
123 2GTF P1R 3.88889
124 4RDL FUC GAL NDG FUC 3.8961
125 4ZS4 ATP 3.90879
126 4GK9 MAN BMA MAN MAN MAN 3.94265
127 6DZN AE3 3.9823
128 1QD1 FON 4
129 1WAP TRP 4
130 1S68 AMP 4.01606
131 5LJI FMN 4.05405
132 5YK1 ANP 4.09357
133 2X3J ATP 4.09357
134 4JUI EGR 4.09357
135 5FXD H7Y 4.09357
136 5JM8 ATP 4.09357
137 1U6R ADP 4.09357
138 5IQZ MAL 4.09357
139 4ZGP ADP 4.09556
140 4IAW LIZ 4.25532
141 3FXU TSU 4.2623
142 4FE2 AIR 4.31373
143 4FE2 ADP 4.31373
144 4DFU QUE 4.34783
145 5ODY 9SK 4.34783
146 3PDT ADP 4.36364
147 3QSB 743 4.38596
148 5TT6 ATP 4.38596
149 4U98 ACP 4.40529
150 2VQ5 HBA 4.47761
151 3BP1 GUN 4.48276
152 2AQX ATP 4.49827
153 1W2D ADP 4.5283
154 1W2D 4IP 4.5283
155 3ZZQ TRP 4.61538
156 5C9J STE 4.62633
157 2GQR ADP 4.64135
158 5C4L 4XR 4.6729
159 5C4L SIS 4.6729
160 5DZT AMP 4.67836
161 1EHI ADP 4.67836
162 3JU6 ANP 4.67836
163 5W75 SUC 4.67836
164 3HQP OXL 4.67836
165 3QXV MTX 4.7619
166 4RFR RHN 4.92611
167 4DDY DN6 4.94297
168 2CYB TYR 4.95356
169 3X01 AMP 4.97076
170 4PZ6 GMP 4.97076
171 1LSH PLD 4.97076
172 2ET1 GLV 4.97512
173 5LKC FUC GLA A2G 5.19481
174