Receptor
PDB id Resolution Class Description Source Keywords
4GUE 1.8 Å EC: 2.7.11.1 STRUCTURE OF N-TERMINAL KINASE DOMAIN OF RSK2 WITH FLAVONOID QUERCITRIN MUS MUSCULUS SERINE/THREONINE KINASE DOMAIN TRANSFERASE-TRANSFERASE INHICOMPLEX
Ref.: IDENTIFICATION OF QUERCITRIN AS AN INHIBITOR OF THE RIBOSOMAL KINASE (RSK): STRUCTURE OF ITS COMPLEX WI N-TERMINAL DOMAIN OF RSK2 AT 1.8 A RESOLUTION. ACTA CRYSTALLOGR.,SECT.D V. 69 266 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:402;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
QCT A:401;
Valid;
none;
Kd = 5.8 uM
448.377 C21 H20 O11 C[C@H...
SO4 A:403;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NW6 1.74 Å EC: 2.7.11.1 RSK2 N-TERMINAL KINASE IN COMPLEX WITH 2-AMINO-7-SUBSTITUTED BENZOXAZOLE COMPOUND 27 HOMO SAPIENS KINASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: 2-AMINO-7-SUBSTITUTED BENZOXAZOLE ANALOGS AS POTENT INHIBITORS. BIOORG.MED.CHEM.LETT. V. 24 1592 2014
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 133 families.
1 3UBD Kd = 2.9 uM SL0 C25 H24 O12 CC1C(C(C(C....
2 4GUE Kd = 5.8 uM QCT C21 H20 O11 C[C@H]1[C@....
3 3G51 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
4 4NUS ic50 = 0.005 uM 2NK C22 H21 F2 N3 O CN1CCN(CC1....
5 4NW6 ic50 = 0.004 uM 2NS C23 H20 N4 O4 COc1cc(cc(....
6 4NW5 ic50 = 0.02 uM 2NR C23 H21 F N2 O5 COc1cccc(c....
7 4EL9 - AFE C21 H20 O10 C[C@H]1[C@....
8 5D9L ic50 = 0.024 uM 583 C15 H12 N2 O2 c1cc(ccc1c....
70% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 101 families.
1 2Z7S - P01 C19 H25 Cl N6 O CC(C)[C@H]....
2 2Z7Q - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
3 2Z7R ic50 ~ 0.4 nM STU C28 H26 N4 O3 C[C@@]12[C....
4 3UBD Kd = 2.9 uM SL0 C25 H24 O12 CC1C(C(C(C....
5 4GUE Kd = 5.8 uM QCT C21 H20 O11 C[C@H]1[C@....
6 3G51 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 4NUS ic50 = 0.005 uM 2NK C22 H21 F2 N3 O CN1CCN(CC1....
8 4NW6 ic50 = 0.004 uM 2NS C23 H20 N4 O4 COc1cc(cc(....
9 4NW5 ic50 = 0.02 uM 2NR C23 H21 F N2 O5 COc1cccc(c....
10 4EL9 - AFE C21 H20 O10 C[C@H]1[C@....
11 5D9L ic50 = 0.024 uM 583 C15 H12 N2 O2 c1cc(ccc1c....
12 4L3L - 5FI C19 H21 F3 N6 CCc1cncnc1....
13 3WE4 ic50 = 15 nM 5FI C19 H21 F3 N6 CCc1cncnc1....
14 3WF5 ic50 = 81 nM FZ8 C17 H17 N7 c1ccc2c(c1....
15 3WF7 ic50 = 206 nM FS9 C18 H17 F3 N6 O c1cc(cc(c1....
16 4L3J - 5FI C19 H21 F3 N6 CCc1cncnc1....
17 3WF6 ic50 = 33 nM FZ9 C18 H16 N6 c1ccc2c(c1....
50% Homology Family (195)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 70 families.
1 2YM8 ic50 = 0.013 uM YM8 C19 H19 Cl N6 O C[C@H](CN(....
2 5OPU Ki = 0.053 uM A3K C15 H12 N4 Cc1cccc(c1....
3 5OP4 Ki = 0.194 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 = 0.018 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 Ki = 0.0277 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 Ki = 0.0241 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 Ki = 0.0515 uM A3H C19 H16 N6 Cc1cccc(c1....
24 5OOT Ki = 0.0285 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 = 22.9 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 = 3 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 ic50 = 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 = 27 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 6Q4H - HGH C13 H11 N5 O3 c1cc(cc(c1....
51 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
52 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
53 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
54 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
55 1PXP Ki = 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
56 6Q3C - BYZ C3 H3 Br N2 c1c(cn[nH]....
57 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]/N=C/1N....
58 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
59 5K4J - 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
60 3PJ8 - 404 C19 H26 N6 O CC[C@H](CO....
61 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
62 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
63 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
64 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
65 5IEX - 6AF C17 H21 Br N4 O3 S C[C@H]([C@....
66 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
67 5LI9 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
68 3A8W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
69 3OWL ic50 = 0.67 uM 19E C16 H11 Cl N2 O Cc1cnc(c2c....
70 5OYF - B4Q C25 H27 N3 CCc1ccccc1....
71 5H8G Kd = 48.2 pM 5Y4 C23 H29 N9 O CC(=O)Nc1c....
72 5OS7 - A8Q C16 H19 Cl N CC(C)c1ccc....
73 6YPJ - P5W C16 H12 N2 O2 S c1ccc(cc1)....
74 5OTZ Kd = 6.5 uM AUT C15 H15 Cl2 N CCc1ccccc1....
75 6HOQ - FER C10 H10 O4 COc1cc(ccc....
76 5OUM - AVK C18 H18 Cl N3 c1ccc(cc1)....
77 5B0X ic50 = 0.02 uM HCK C18 H14 N2 O4 S COc1ccc(cc....
78 5MO8 Kd = 1.64 uM C98 C26 H26 Cl N3 O4 c1ccc(cc1)....
79 6RCB ic50 = 0.33 uM JYZ C17 H14 N2 O4 COc1cc(ccc....
80 3R1N - 05B C22 H21 N5 O3 c1cc2c(cc1....
81 3BWJ Kd = 0.319 uM ARX C28 H47 N15 O7 [H]/N=C(N)....
82 6SPS - LR5 C8 H6 F3 N O c1cc(ccc1C....
83 6SPM - 3AE C8 H5 F3 O2 c1cc(ccc1C....
84 3AGL Ki = 16 nM A03 C37 H63 N17 O9 [H]/N=C(N)....
85 6SNX - UNU C7 H7 N O c1ccc(cc1)....
86 6ZN0 - NTN C6 H7 N3 c1cnccc1C(....
87 6SNN - BEZ C7 H6 O2 c1ccc(cc1)....
88 1RE8 Ki = 0.3 nM BD2 C27 H26 N2 O6 c1ccc(c(c1....
89 1SZM ic50 = 2.94 uM BI4 C27 H26 N4 O2 C[N@]1CCC[....
90 1REJ Ki = 5 nM B1L C20 H22 N2 O5 c1cc(ccc1C....
91 6SPY - LR8 C10 H13 N3 O2 c1cc(ncc1C....
92 6Z08 - NPO C6 H5 N O3 c1cc(ccc1[....
93 2Z7Q - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
94 1MQ4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
95 6C2R Ki = 0.8 nM EG7 C24 H26 Cl F2 N5 O2 Cc1cc(n[nH....
96 5EW9 Ki < 0.01 nM 5VC C22 H21 Cl F N3 O3 S c1cc(nc(c1....
97 5ORY Kd = 357 uM AY4 C9 H6 F2 N2 O c1c[nH]nc1....
98 4CEG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
99 6VPH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
100 5ORV Kd = 1297 uM A65 C6 H9 N O S3 CSc1c(c(sn....
101 5OS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
102 3DJ6 - AK6 C25 H24 N4 O3 S COc1ccc(cc....
103 5OSF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
104 2WQE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
105 6CPF - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
106 6R4C - JRQ C16 H22 N2 O3 CCOC(=O)C[....
107 3FDN ic50 = 0.033 uM MMH C21 H22 N6 O3 Cc1c(c([nH....
108 5OOI - 9YE C23 H25 N O3 CC(C)n1c2c....
109 7A1Z ic50 = 3.38 uM QWN C5 H2 Br Cl N4 c1c2c(nc(c....
110 3KXH - K66 C11 H9 Br4 N3 O2 CN(C)c1nc2....
111 4DGM ic50 = 1.2 uM AGI C15 H10 O5 c1cc(ccc1C....
112 3PVG - K68 C9 H4 Br4 N2 O2 c1nc2c(n1C....
113 1ZOG Ki = 0.07 uM K37 C8 H4 Br4 N2 S CSc1[nH]c2....
114 2PVJ Ki = 0.005 uM P44 C19 H21 N7 c1ccc(cc1)....
115 1P4F - DRG C12 H11 N3 c1ccc-2c(c....
116 4TXC Kd = 0.24 uM 38G C24 H27 N5 O3 CN(C)CCN[C....
117 2YAK ic50 = 2 nM OSV C27 H31 F N4 O3 Ru S4 CC(C)Oc1cc....
118 5AUY ic50 = 1.6 uM MRI C15 H10 O7 c1cc(c(cc1....
119 2HY0 ic50 = 0.65 nM 306 C26 H25 N5 O c1cc2c(cc1....
120 5LVO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
121 4XX9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
122 2XCK ic50 = 713 nM MH4 C29 H33 N9 O Cc1cc(ccn1....
123 3QD4 ic50 = 6.31 nM 3Q6 C22 H30 N8 O2 C[C@@H]1C[....
124 3RCJ ic50 = 0.8 uM 3RC C16 H13 N5 c1ccc(cc1)....
125 2PE0 - 39Z C14 H12 N2 O2 CC(c1ccc[n....
126 4CT2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
127 5ACK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
128 3HRC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
129 5LVM - ADE C5 H5 N5 c1[nH]c2c(....
130 5MRD ic50 = 36.4 uM S26 C18 H13 Cl N2 O4 S2 CCOC(=O)C1....
131 3ION ic50 = 8 nM 8H1 C28 H27 N5 O3 COc1cc2c3c....
132 1UU7 ic50 = 14 uM BI2 C27 H26 N4 O2 C[N@@]1CCC....
133 3HRF Kd = 10.3 uM P47 C17 H15 Cl O2 c1ccc(cc1)....
134 3QCS ic50 = 0.316 uM 3Q1 C15 H17 N7 O c1cc2c(cc1....
135 1H1W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
136 4AW1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
137 2PE2 - 464 C28 H30 N6 O3 c1cc(cc(c1....
138 3H9O ic50 = 70 nM 9BD C19 H19 N5 O3 COCCOc1cc2....
139 3QD3 ic50 = 0.00000001 M 3Q5 C22 H30 N8 O2 C[C@H]1CC[....
140 1OKY ic50 = 6.5 nM STU C28 H26 N4 O3 C[C@@]12[C....
141 3IOP ic50 = 17 nM 8I1 C28 H27 N5 O3 COc1cc2c3c....
142 2PE1 ic50 = 6 nM 517 C15 H14 N4 O2 CC(c1ccc[n....
143 3RWP Ki = 0.6 nM ABQ C24 H24 F N7 O2 CC(C)n1cc(....
144 3NAX - MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
145 3QCQ ic50 = 0.158 uM 3Q0 C13 H15 N7 CCNc1cc(nc....
146 4A06 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
147 2R5T - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
148 2JDO ic50 = 0.23 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
149 1O6K - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
150 3E88 Ki = 2 nM G96 C24 H27 N7 O3 CCn1c2cc(n....
151 2UW9 - GVP C20 H20 Cl N3 c1cc(ccc1c....
152 2JDR ic50 = 0.5 nM L20 C24 H23 N5 O Cc1c2cc(cc....
153 3D0E ic50 = 13 nM G93 C21 H27 N7 O3 CCn1c2c(cn....
154 3UBD Kd = 2.9 uM SL0 C25 H24 O12 CC1C(C(C(C....
155 4GUE Kd = 5.8 uM QCT C21 H20 O11 C[C@H]1[C@....
156 3G51 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
157 4NUS ic50 = 0.005 uM 2NK C22 H21 F2 N3 O CN1CCN(CC1....
158 4NW6 ic50 = 0.004 uM 2NS C23 H20 N4 O4 COc1cc(cc(....
159 4NW5 ic50 = 0.02 uM 2NR C23 H21 F N2 O5 COc1cccc(c....
160 2W7X ic50 = 24 nM D1A C18 H17 N7 O3 [H]/N=C(N)....
161 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
162 2YCF ic50 = 0.03 nM YCF C19 H24 N10 O3 [H]/N=C(N/....
163 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
164 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O C/C(=NNC1=....
165 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
166 4BDB ic50 = 85.6 uM ODO C8 H9 N O3 C/C(=NO)/c....
167 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCC/C(=NNC....
168 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]/N=C(N)....
169 6CCY ic50 = 0.003 uM EX4 C29 H33 F4 N7 O C[C@@H]1CC....
170 3QKK - SMH C28 H38 N2 O7 S CCOCCN(C[C....
171 6NPZ - GLY ARG PRO ARG THR THR ZXW PHE ALA GLU n/a n/a
172 4EKL ic50 = 5 nM 0RF C24 H32 Cl N5 O2 C[C@@H]1C[....
173 3CQW ic50 = 42 nM CQW C12 H11 Cl N6 c1c(c2c([n....
174 4GV1 ic50 = 3 nM 0XZ C21 H25 Cl N6 O2 c1cc(ccc1[....
175 3MVH ic50 = 0.5 nM WFE C20 H22 F2 N6 O CCc1c[nH]c....
176 3MV5 ic50 = 180 nM XFE C11 H15 N5 Cc1c[nH]c2....
177 3QKL - SMR C29 H40 N4 O5 S CCOCC[N@@]....
178 5OTF - AQ5 C20 H24 N6 c1cnc2c(c1....
179 3TKU ic50 = 1.92 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
180 3V8S ic50 = 0.65 uM 0HD C16 H16 N4 O c1ccc(cc1)....
181 4OTH ic50 = 9 nM DRN C25 H23 N5 O2 S [H]/N=C(/N....
182 3A62 - STU C28 H26 N4 O3 C[C@@]12[C....
183 3WF9 ic50 = 567 nM FS7 C24 H25 N3 O5 S C[C@H]1CCc....
184 3WF8 ic50 = 232 nM F76 C23 H23 N3 O5 S c1ccc2c(c1....
185 4L3L - 5FI C19 H21 F3 N6 CCc1cncnc1....
186 3WE4 ic50 = 15 nM 5FI C19 H21 F3 N6 CCc1cncnc1....
187 3WF5 ic50 = 81 nM FZ8 C17 H17 N7 c1ccc2c(c1....
188 2F2U - M77 C14 H17 N3 O2 S c1cc2cnccc....
189 6C0T ic50 = 43.1 nM EE4 C30 H30 F N5 O5 CCCOc1ccc(....
190 6BXI - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
191 5F9E ic50 = 0.46 nM 5VS C23 H21 N5 O2 CC1(NC(=O)....
192 1XJD Ki = 0.33 nM STU C28 H26 N4 O3 C[C@@]12[C....
193 3TXO ic50 = 9 nM 07U C17 H19 N5 CC(C)(CNc1....
194 1V0P ic50 = 0.13 uM PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
195 1V0O ic50 = 5.5 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: QCT; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 QCT 1 1
2 AFE 0.786667 1
3 RUT 0.764045 0.833333
4 HW2 0.753086 0.809524
5 SL0 0.55914 0.918919
6 QUE 0.481013 0.885714
7 7CA 0.442308 0.795455
8 IRH 0.404494 0.888889
Similar Ligands (3D)
Ligand no: 1; Ligand: QCT; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NW6; Ligand: 2NS; Similar sites found with APoc: 62
This union binding pocket(no: 1) in the query (biounit: 4nw6.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 6JKM ADP 25.387
2 2QLU ADE 30.8917
3 3UIM ANP 32.1981
4 5LPZ ADP 32.8173
5 1Q8Y ADE 33.1269
6 1Q8Y ADP 33.1269
7 3LXN MI1 33.3333
8 4OH4 ANP 33.3333
9 6K3L 3NG 34.0237
10 4UX9 ANP 34.9845
11 4UX9 ANP 34.9845
12 4UX9 ANP 34.9845
13 6K0J CQO 34.9845
14 2H8H H8H 35.9133
15 6G33 5ID 35.9133
16 6G33 5ID 35.9133
17 6JQR C6F 35.9133
18 4IDT T28 36.8421
19 4IDT T28 36.8421
20 3PTG 932 36.8421
21 5Y86 HRM 37.1517
22 5AWM ANP 38.0805
23 4CFU 2WC 38.6139
24 4CFU 2WC 38.6139
25 6GUE FB8 38.7417
26 6GUE FB8 38.7417
27 6GU6 1QK 38.7417
28 5HQ0 LZ9 38.7417
29 4BCQ TJF 38.8704
30 4BCQ TJF 38.8704
31 6YLC OXW 38.8715
32 6YLC OXW 38.8715
33 4BCN T9N 39
34 4BCN T9N 39
35 5LMK 6ZK 39.3939
36 4BHN BH9 39.9381
37 4BHN BH9 39.9381
38 2V7O DRN 42.1053
39 3GQI ACP 42.1053
40 2PVF ACP 43.0341
41 6CMJ F6J 43.3022
42 6CMJ F6J 43.3022
43 2A19 ANP 43.3099
44 2VZ6 FEF 43.4505
45 2VZ6 FEF 43.4505
46 2B9J ADP 43.9628
47 2VN9 GVD 44.5183
48 2VN9 GVD 44.5183
49 1BYG STU 44.964
50 3HZT J60 45.2012
51 1PHK ATP 45.6376
52 1U59 STU 45.6446
53 2ZV2 609 45.9732
54 4AU8 Z3R 47.6351
55 4AU8 Z3R 47.6351
56 4AU8 Z3R 47.6351
57 4AU8 Z3R 47.6351
58 1UNH IXM 48.2877
59 1UNH IXM 48.2877
60 3O0G 3O0 48.2877
61 3SRV S19 48.7365
62 3SRV S19 48.7365
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