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Receptor
PDB id Resolution Class Description Source Keywords
1SZM 2.5 Å EC: 2.7.11.11 DUAL BINDING MODE OF BISINDOLYLMALEIMIDE 2 TO PROTEIN KINASE A (PKA) BOS TAURUS PKA PKC BISINDOLYL MALEIMIDE 2 LY333531 SELECTIVITY SURROGATE KINASE AMINO ACID RESIDUE EXCHANGE X-RAY STRUCTURE TRANSFERASE
Ref.: THE PROTEIN KINASE C INHIBITOR BISINDOLYL MALEIMIDE 2 BINDS WITH REVERSED ORIENTATIONS TO DIFFERENT CONFORMATIONS OF PROTEIN KINASE A. J.BIOL.CHEM. V. 279 23679 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BI4 A:351;
B:351;
Valid;
Valid;
none;
none;
ic50 = 6.35 uM
438.521 C27 H26 N4 O2 C[N@]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RE8 2.1 Å EC: 2.7.11.11 CRYSTAL STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH BALANOL ANALOG 2 MUS MUSCULUS PROTEIN KINASE NATURAL PRODUCT INHIBITOR LIGAND BINDING SPECIFICITY DETERMINANTS CONFORMATIONAL MALLEABILITY TRANSFERASE
Ref.: BALANOL ANALOGUES PROBE SPECIFICITY DETERMINANTS AND THE CONFORMATIONAL MALLEABILITY OF THE CYCLIC 3',5'-ADENOSINE MONOPHOSPHATE-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT BIOCHEMISTRY V. 43 85 2004
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1REK Ki = 200 nM B8L C32 H36 N2 O7 CC[C@H](C)....
2 3BWJ ic50 = 2.6 uM ARX C28 H47 N15 O7 [H]/N=C(N)....
3 3AGL Ki = 16 nM A03 C37 H63 N17 O9 [H]/N=C(N)....
4 1RE8 Ki = 0.3 nM BD2 C27 H26 N2 O6 c1ccc(c(c1....
5 1SZM ic50 = 6.35 uM BI4 C27 H26 N4 O2 C[N@]1CCC[....
6 1REJ Ki = 5 nM B1L C20 H22 N2 O5 c1cc(ccc1C....
7 5IZJ - 6J9 C10 H13 N5 c1c[nH]c2c....
8 3AG9 Ki = 9 nM A02 C40 H70 N18 O9 [H]/N=C(N)....
9 5IZF Kd = 1.7 nM 6J9 AZ1 DAR ACA DAR NH2 n/a n/a
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1REK Ki = 200 nM B8L C32 H36 N2 O7 CC[C@H](C)....
2 3BWJ ic50 = 2.6 uM ARX C28 H47 N15 O7 [H]/N=C(N)....
3 3AGL Ki = 16 nM A03 C37 H63 N17 O9 [H]/N=C(N)....
4 1RE8 Ki = 0.3 nM BD2 C27 H26 N2 O6 c1ccc(c(c1....
5 1SZM ic50 = 6.35 uM BI4 C27 H26 N4 O2 C[N@]1CCC[....
6 1REJ Ki = 5 nM B1L C20 H22 N2 O5 c1cc(ccc1C....
7 5IZJ - 6J9 C10 H13 N5 c1c[nH]c2c....
8 3AG9 Ki = 9 nM A02 C40 H70 N18 O9 [H]/N=C(N)....
9 5IZF Kd = 1.7 nM 6J9 AZ1 DAR ACA DAR NH2 n/a n/a
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: BI4; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 BI4 1 1
2 BI2 1 1
3 BI3 0.655172 0.8
4 BI1 0.626374 0.931035
5 DRN 0.40566 0.731343
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RE8; Ligand: BD2; Similar sites found with APoc: 537
This union binding pocket(no: 1) in the query (biounit: 1re8.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 1RZX ACE VAL LYS GLU SER LEU VAL None
2 2RIF AMP None
3 3PN1 IVH 0.943396
4 4V03 ADP 1.16732
5 5EXK 5AD 1.20846
6 4U98 ACP 1.42857
7 3WXL ADP 1.42857
8 5KJW 53C 1.42857
9 6GH9 MIX 1.42857
10 1W0O SIA 1.42857
11 3ICS ADP 1.42857
12 3ICT ADP 1.42857
13 5DZ2 212 1.47929
14 4GLW 0XT 1.63934
15 5VLQ ANP 1.71429
16 6E8I PTR 1.77515
17 1TZD ADP 1.81818
18 3PNA CMP 1.94805
19 2YW2 ATP 2
20 5EQY 5RA 2
21 5JM8 ATP 2
22 3K5I ADP 2
23 6C1S EFV 2
24 3SHR CMP 2.00669
25 3MBI HSX 2.09059
26 4CC6 L5Y 2.20126
27 1G2O IMH 2.23881
28 3UDZ ADP 2.28571
29 6FL8 ADP 2.28571
30 6FL8 TIY 2.28571
31 5BU2 ADP 2.28571
32 1IOW ADP 2.28758
33 1IOW PHY 2.28758
34 5IGI GMP 2.32558
35 5IGI ZIT 2.32558
36 3I0O ADP 2.35988
37 2VDF OCT 2.37154
38 4WJT NAG 2.39521
39 5XQL C2E 2.4055
40 2CFM AMP 2.49554
41 2W68 SIA GAL BGC 2.5641
42 3AKK ADP 2.57143
43 3X01 AMP 2.57143
44 4PU5 ANP 2.57143
45 3ETH ATP 2.57143
46 1VRP ADP 2.57143
47 3EF0 ALF 2.57143
48 4YRI 4JH 2.57143
49 4M51 BEZ 2.57143
50 3IHG VAK 2.57143
51 3GXO MQA 2.57143
52 2I80 G1L 2.57143
53 2V58 LZJ 2.57143
54 4RYV ZEA 2.58065
55 3KYF 5GP 5GP 2.5974
56 5GZ9 ANP 2.62295
57 5COU ATP 2.64706
58 3TM0 ANP 2.6616
59 3TM0 B31 2.6616
60 1ZTH ADP 2.71318
61 1ZP9 ATP 2.71318
62 3RE4 TO1 2.71318
63 1T3D CYS 2.76817
64 4XJ6 GH3 2.85714
65 3HQP OXL 2.85714
66 5K2M ADP 2.9304
67 2IRY DGT 2.9703
68 3KYG 5GP 5GP 3.0837
69 2G30 ALA ALA PHE 3.10078
70 2AQX ATP 3.11419
71 3TII ANP 3.14286
72 1PK8 ATP 3.14286
73 2HGS ADP 3.14286
74 3UG4 AHR 3.14286
75 6EOM ALA LYS 3.14286
76 3KAL ADP 3.14286
77 5MW8 ATP 3.14286
78 1GT4 UNA 3.14465
79 3W0O ADP 3.15186
80 3W0O HY0 3.15186
81 4D4U FUC GAL NAG 3.1746
82 5TZO 7V7 3.19149
83 1A99 PUT 3.19767
84 4R78 AMP 3.23625
85 5D9G GLU ASN LEU TYR PHE GLN 3.25203
86 4Z1D PEP 3.26087
87 3FXU TSU 3.27869
88 3NOJ PYR 3.36134
89 2GQR ADP 3.37553
90 4ZGP ADP 3.41297
91 1W8S FBP 3.42205
92 4RF7 ARG 3.42857
93 5KR7 6X9 3.42857
94 2Z49 AMG 3.42857
95 5JDA AMP 3.42857
96 1LCF OXL 3.42857
97 1F9V ADP 3.45821
98 4XYM A12 3.47826
99 4XZ3 ACP 3.47826
100 1AUX AGS 3.53698
101 3KC1 2T6 3.56083
102 5D3X 4IP 3.59281
103 6CGD GNP 3.60656
104 6CGD AKN 3.60656
105 1CKN GTP 3.63636
106 1CKM GTP 3.63636
107 2QK4 ATP 3.71429
108 3WVR AMP 3.71429
109 5YJS SAL 3.71429
110 4NOS ITU 3.71429
111 2VL1 GLY GLY 3.71429
112 4LH7 1X8 3.71517
113 1HPG BOC ALA ALA PRO GLU 3.74332
114 4UWH JXM 3.82696
115 3BY9 SIN 3.84615
116 1NE6 SP1 3.88693
117 6GW4 CHO 3.90879
118 3TDV GDP 3.92157
119 4KU7 PCG 3.92157
120 4OUC 5ID 4
121 6G34 5ID 4
122 4OCJ NDG 4
123 5KJZ PCG 4
124 6EZ6 C5Z 4
125 5AE9 OKO 4
126 1MJT ITU 4.03458
127 1Y7P RIP 4.03587
128 2Q7D ANP 4.04624
129 4DDY DN6 4.18251
130 4NZN 2OU 4.24242
131 4NZN ANP 4.24242
132 5C1P ADP 4.24837
133 5C1P DAL DAL 4.24837
134 6ACS CIT 4.26357
135 2IF8 ADP 4.28571
136 1IA9 ANP 4.28571
137 2VPQ ANP 4.28571
138 5LXT ACP 4.28571
139 4WOE ADP 4.28571
140 4WOE 3S5 4.28571
141 5HSS 650 4.28571
142 4DS0 A2G GAL NAG FUC 4.29448
143 4FE2 AIR 4.31373
144 4FE2 ADP 4.31373
145 1JGS SAL 4.34783
146 4OIT MAN 4.42478
147 1GSA ADP 4.43038
148 5JAX 6J7 4.44444
149 1FWV SGA MAG FUC 4.47761
150 5F90 GLA GAL BGC 5VQ 4.48718
151 3C8F MT2 4.4898
152 1I7L ATP 4.53074
153 4Y24 TD2 4.54545
154 5VZ0 ADP 4.57143
155 4OCV ANP 4.57143
156 1P0Z FLC 4.58015
157 1UF5 CDT 4.62046
158 6FA4 D1W 4.62428
159 4DFU QUE 4.65839
160 5C4L 4XR 4.6729
161 5C4L SIS 4.6729
162 5I35 ANP 4.85714
163 3V4S ATP 4.85714
164 1F52 ADP 4.85714
165 5IM3 DTP 4.85714
166 4AZW ATP 4.85714
167 2PYW ADP 4.85714
168 1W2D ADP 4.90566
169 1W2D 4IP 4.90566
170 1P6O HPY 4.96894
171 3ACC 5GP 4.97238
172 4GYI ADP 5.03778
173 5W75 SUC 5.14286
174 4PZ6 GMP 5.14286
175 3E7S AT2 5.14286
176 3VSV XYP 5.14286
177 3IAE D7K 5.14286
178 1ZPD DPX 5.14286
179 2RDE C2E 5.17928
180 2XG5 EC5 5.20231
181 2XG5 EC2 5.20231
182 1TQP ATP 5.31915
183 4K7O EKZ 5.35714
184 2J9L ATP 5.40541
185 1SDW IYT 5.41401
186 1M0W ANP 5.42857
187 2IO8 ADP 5.42857
188 1E4E ADP 5.53936
189 3ORQ ADP 5.57029
190 5NM7 GLY 5.6391
191 1SU2 ATP 5.66038
192 3TY5 ATP 5.71429
193 3TY5 ADP 5.71429
194 1BW9 NAD 5.71429
195 1C1X HFA 5.71429
196 3ZW2 NAG GAL FUC 5.74713
197 5VM6 9EG 5.83942
198 3BP1 GUN 5.86207
199 6AR9 3L4 5.88235
200 3RET SAL 5.94059
201 3CF6 SP1 5.98802
202 5HV7 RBL 6
203 5YK1 ANP 6
204 1OKE BOG 6
205 2V2G BEZ 6.00858
206 1QK3 5GP 6.00858
207 3VPD ANP 6.04982
208 4GGZ BTN 6.08696
209 5TDF ADP 6.17284
210 2FB3 MET 6.17647
211 5XG5 A2G 6.2069
212 4RT1 C2E 6.25
213 4O1P ANP 6.28571
214 2PUL ACP 6.28571
215 5OES ADP 6.28571
216 1EHI ADP 6.28571
217 3DNT ATP 6.28571
218 2VQ5 HBA 6.46766
219 2YRX AMP 6.57143
220 5TDC NMM ILE PHE SER 6.57895
221 3TTM PUT 6.6474
222 2D5X L35 6.84932
223 5MRH Q9Z 6.85714
224 4OAV ACP 6.85714
225 1T36 ADP 6.85714
226 5ZCT ANP 6.86275
227 5DYO FLU 6.88073
228 3LQV ADE 6.95652
229 5U7W ADE 7.14286
230 6EAC ANP 7.14286
231 2QHS OCA 7.173
232 1UNQ 4IP 7.2
233 1S68 AMP 7.22892
234 5CIC 51R 7.40741
235 3W6G FLC 7.40741
236 4IX4 ADP 7.42857
237 4LO2 GAL BGC 7.43243
238 5Y4R C2E 7.48299
239 1SBR VIB 7.5
240 4LRJ ANP 7.69231
241 2P4S DIH 7.71429
242 5XLY C2E 7.82918
243 1OBD ATP 7.84314
244 2QHV OC9 8.09524
245 2VQD AP2 8.28571
246 2YVJ NAI 8.28571
247 6AC9 ANP 8.57143
248 3ZJX BOG 8.65052
249 4XMF HSM 8.69565
250 3SAO DBH 8.75
251 2QX0 PH2 8.80503
252 1YQC GLV 8.82353
253 2X3J ATP 8.85714
254 6DZN AE3 8.92019
255 4ZS4 ATP 9.12052
256 1H8P PC 9.17431
257 4JWK CTN 9.32642
258 5TT6 ATP 9.71429
259 4OFG PCG 9.72222
260 1S9D AFB 9.7561
261 4NS0 PIO 9.77444
262 3PDT ADP 10.1818
263 3TPV ADE 10.5714
264 2OX9 GAL NAG FUC 10.7143
265 3EW2 BTN 11.1111
266 5UFC DR2 11.2903
267 3VPC ADP 11.3475
268 3VPB ADP 11.3475
269 3WCZ CIT 11.3636
270 3Q60 ATP 11.4286
271 3HAV ATP 11.7057
272 2GQS C2R 11.8143
273 2GQS ADP 11.8143
274 2BKK ADP 11.8343
275 6E2B PT7 11.8421
276 5C8W PCG 11.8881
277 3WG3 A2G GAL NAG FUC 12.3596
278 4O4F ATP 12.5
279 4O4F IHP 12.5
280 5CKW ANP 12.8571
281 5WS9 OXL 12.8571
282 3VOT ADP 13.1429
283 1F5F DHT 13.1707
284 4WOH 4NP 13.253
285 1XVB BHL 13.5294
286 5DMZ ADP 14
287 4OH4 ANP 14.4144
288 5LPZ ADP 14.759
289 1KDK DHT 15.2542
290 2QLU ADE 15.2866
291 5HWV MBN 15.3846
292 4IJP 1EH 15.4286
293 4I94 ANP 15.6667
294 2RIO ADP 16
295 5EJL C2E 16.129
296 5LPB ADP 16.2162
297 4WW7 AMP 18.7739
298 4CYI ATP 18.8571
299 2CSN CKI 19.1919
300 3VHE 42Q 19.7143
301 3H0L ADP 20.2128
302 4YZC STU 20.5714
303 5C03 AGS 21.345
304 4Y0X ADP 22
305 5DZT AMP 22.2857
306 2PZI AXX 22.8571
307 4WOV 3SM 23.0284
308 4Q5H ANP 23.6842
309 6BFN DL1 25.1462
310 3HMO STU 25.4386
311 4JR7 GNP 26
312 4CRL C1I 26.8473
313 5OMY 9YE 26.8542
314 1Q8Y ADE 26.8571
315 1Q8Y ADP 26.8571
316 3VRY B43 27.1429
317 4IDT T28 27.1429
318 5BVE 4VG 27.4238
319 5N87 N66 27.476
320 5KO1 6UY 27.5618
321 5MY8 RXZ 27.7143
322 4E93 GUI 27.7143
323 3C1X CKK 27.7143
324 4BTK DTQ 27.8932
325 3UIM ANP 27.9141
326 6FYL 3NG 28
327 5UIU 8CG 28.1734
328 5T8O 76Z 28.3668
329 4H3P ANP 28.5714
330 4H3Q ANP 28.5714
331 3PP0 03Q 28.6982
332 4XH0 ADP 28.8571
333 3LXN MI1 28.9308
334 4QTB 38Z 29.1429
335 3KMW ATP 29.1513
336 1VJY 460 29.3729
337 3H9R TAK 29.697
338 4UX9 ANP 29.7143
339 3GNI ATP 29.7143
340 2H8H H8H 29.7143
341 6GWR FEW 29.8413
342 5Y86 HRM 30
343 2B9H ADP 30
344 6GZD LCI 30
345 2B9I ADP 30
346 2B9J ADP 30
347 3E8N ATP 30.2053
348 3E8N VRA 30.2053
349 5HCY 60D 30.2115
350 5QIN J2V 30.3797
351 5EOB 5QQ 30.4075
352 2WU6 DKI 30.5714
353 2B9F ADP 30.5714
354 5ZTN CUR 30.5714
355 2PVN P63 30.6818
356 4NFN 2KC 30.7443
357 6F3G CJN 30.8475
358 6ES0 BW8 30.9148
359 5W4W 9WG 31.1178
360 4KBA 1QM 31.1178
361 4GJ3 0XP 31.1258
362 4P5Z Q7M 31.1429
363 1OPK P16 31.1429
364 3PE2 E1B 31.1573
365 3ALN ANP 31.1927
366 4CLI 5P8 31.1927
367 5X8I SQZ 31.2139
368 4E1Z 0MX 31.2715
369 5JGA 6KC 31.4286
370 1CM8 ANP 31.4286
371 3LXK MI1 31.4985
372 5YF9 NIO 31.5634
373 3NW7 LGV 31.5961
374 4NST AF3 31.7143
375 4NST ADP 31.7143
376 4IZY 1J2 31.7143
377 4F9C 0SX 31.7143
378 6FYV 3NG 31.7507
379 5EH0 5NW 31.7829
380 6G33 5ID 31.8584
381 4U44 3D9 31.9277
382 1OUK 084 32
383 1Y57 MPZ 32
384 5HVJ ANP 32.0635
385 5WNL STU 32.1637
386 6GIN IR2 32.2259
387 3KRL KRL 32.2388
388 4LOO SB4 32.2857
389 4Y93 746 32.2857
390 2OO8 RAJ 32.4921
391 6A1G 9OL 32.5714
392 4Y8D 49J 32.6471
393 1K3A ACP 32.7759
394 3ORK AGS 32.7974
395 5OKT 9XK 32.8025
396 4Y85 499 32.8313
397 4NM5 ADP 32.8571
398 5TO8 7FM 32.9787
399 4AT3 LTI 33.1104
400 3PTG 932 33.1429
401 4WHZ 3NL 33.1429
402 3TTI KBI 33.1429
403 5EFQ ADP 33.4294
404 1O9U ADZ 34
405 5AWM ANP 34
406 3PLS ANP 34.2282
407 2JLD AG1 34.2857
408 3E7O 35F 34.2857
409 4QMN DB8 34.5161
410 3F7Z 34O 34.5714
411 3ZRM ZRM 34.5714
412 5AX9 4KT 34.7403
413 4UXL 5P8 34.7826
414 4AUA 4AU 34.8534
415 4ASE AV9 35.1275
416 4AU8 Z3R 35.1351
417 4YZN 4K5 35.1916
418 4EWH T77 35.2727
419 5NKB 8ZT 35.2941
420 5JFS 6K0 35.3896
421 5Y80 IRE 35.4633
422 3DAK ANP 35.5172
423 4YMJ 4EJ 35.5263
424 2HK5 1BM 35.5556
425 2BPM 529 35.5987
426 4XV1 904 35.6164
427 5HES 032 35.8306
428 5H2U 1N1 35.9551
429 3O0G 3O0 35.9589
430 1UNH IXM 35.9589
431 2F57 23D 36
432 3GGF GVD 36.2126
433 2A19 ANP 36.2676
434 6CZ3 FLJ 36.3636
435 2XVD AS6 36.4238
436 4X7Q 3YR 36.5385
437 3GC8 B45 36.5714
438 5M06 ADP 36.5942
439 4CFU 2WC 36.6337
440 5WO4 B7V 36.755
441 4G31 0WH 36.7893
442 1JPA ANP 36.859
443 4BCQ TJF 36.8771
444 4BCM T7Z 36.8771
445 4EUU BX7 36.9906
446 4BCN T9N 37
447 4CQE CQE 37.0504
448 4M69 ANP 37.0607
449 6GUE FB8 37.0861
450 5UPK ANP 37.2832
451 4AG8 AXI 37.3418
452 5LMK 6ZK 37.3737
453 4ITH RCM 37.415
454 3SLS 77D 37.5
455 3SLS ANP 37.5
456 5U6C 7YS 37.7778
457 3IGO ANP 38
458 2Y6O 1N1 38.1443
459 4K33 ACP 38.1538
460 2OFV 242 38.2671
461 2PVF ACP 38.3234
462 5CEO 50D 38.3333
463 4RFM 3P6 38.3459
464 6C7Y ADP 38.4615
465 5JKG 6LF 38.5852
466 4BHN BH9 38.6228
467 5HQ0 LZ9 38.7417
468 6GU6 1QK 38.7417
469 3GQI ACP 38.9571
470 5MJA 7O3 39.0164
471 5VC5 96M 39.1003
472 3DLS ADP 39.1045
473 5TA6 79D 39.1061
474 4FF8 14S 39.3189
475 1U59 STU 39.3728
476 4FL3 ANP 39.7143
477 6GQM F8H 39.939
478 3KN5 ANP 40
479 2YAB AMP 40
480 2WQN ADP 40
481 3EKK GS2 40.0651
482 4BFM ANP 40.1198
483 5USZ SKE 40.1384
484 5EKO N17 40.2857
485 4G17 0VN 40.303
486 3BU5 ATP 40.5229
487 1IR3 ANP 40.5229
488 4ONA UW1 40.5714
489 3RI1 3RH 40.5751
490 3SXS PP2 40.6716
491 4CSV STI 40.7273
492 3G5D 1N1 40.9091
493 4U0I 0LI 40.9524
494 2X2M X2M 41.0828
495 3C0G 3AM 41.1429
496 3HZT J60 41.1429
497 5UR1 YY9 41.1576
498 5VCV 1N1 41.1576
499 4N70 2HX 41.1585
500 4TWP AXI 41.3284
501 3FHR P4O 41.369
502 5FBN 5WF 41.6974
503 3FC2 IBI 41.791
504 3SRV S19 41.8773
505 2V7O DRN 41.9643
506 4F4P 0SB 42.4908
507 4I6H 1C8 42.5325
508 3GC0 AMP 42.5532
509 1BYG STU 42.8058
510 2J7T 274 43.0464
511 5DEY 59T 43.0976
512 3BZ3 YAM 43.1159
513 3CY2 MB9 43.3121
514 2WEL K88 43.4251
515 5IH9 6BF 43.5821
516 5XVG 8FX 44.0273
517 6E2O S0L 44.0678
518 3M2W L8I 44.1472
519 5DRB 5FJ 44.3299
520 2VZ6 FEF 44.7284
521 6CMJ F6J 44.8598
522 4KS7 X4Z 44.863
523 1ZY5 ANP 44.8845
524 4L9I 8PR 45.7143
525 4PNI KQQ 45.7143
526 5ZCO CHD 45.7627
527 4A4X JUP 46.2366
528 5A6N U7E 46.2898
529 2WEI VGG 46.3415
530 1PHK ATP 46.6443
531 4WNP 3RJ 47.0383
532 2VN9 GVD 47.1761
533 4FG8 ATP 47.9365
534 2ZV2 609 47.9866
535 4WNK 453 48.5714
536 2XK9 XK9 48.7578
537 5JZJ AN2 48.8215
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