Receptor
PDB id Resolution Class Description Source Keywords
6ZN0 1.59 Å EC: 2.7.1.37 CRYSTAL STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE A (CHO PK COMPLEX WITH ISONICOTINAMIDINE CRICETULUS GRISEUS PHOSPHOTRANSFERASE SIGNALLING PATHWAYS GLYCOGEN METABOLISMSERINE/THREONINE KINASE TRANSFERASE
Ref.: FRAGMENT BINDING TO KINASE HINGE: IF CHARGE DISTRIB LOCAL PK A SHIFTS MISLEAD POPULAR BIOISOSTERISM CON ANGEW.CHEM.INT.ED.ENGL. V. 60 252 2021
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MRD A:401;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@H...
NTN A:404;
A:405;
Valid;
Valid;
none;
none;
submit data
121.14 C6 H7 N3 c1cnc...
DMS A:403;
A:402;
Invalid;
Invalid;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5IZF 2.1 Å EC: 2.7.1.37 COMPLEX OF PKA WITH THE BISUBSTRATE PROTEIN KINASE INHIBITOR HOMO SAPIENS PROTEIN KINASE INHIBITOR BISUBSTRATE OLIGOARGININE PKA TRANSFERASE
Ref.: BIFUNCTIONAL LIGANDS FOR INHIBITION OF TIGHT-BINDIN PROTEIN-PROTEIN INTERACTIONS. BIOCONJUG.CHEM. V. 27 1900 2016
Members (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1REK Ki = 200 nM B8L C32 H36 N2 O7 CC[C@H](C)....
2 6SOX - LQ2 C8 H7 N O3 c1cc(ccc1C....
3 3BWJ Kd = 0.319 uM ARX C28 H47 N15 O7 [H]/N=C(N)....
4 6SPS - LR5 C8 H6 F3 N O c1cc(ccc1C....
5 6SPM - 3AE C8 H5 F3 O2 c1cc(ccc1C....
6 3AGL Ki = 16 nM A03 C37 H63 N17 O9 [H]/N=C(N)....
7 6SNX - UNU C7 H7 N O c1ccc(cc1)....
8 6ZN0 - NTN C6 H7 N3 c1cnccc1C(....
9 6SNN - BEZ C7 H6 O2 c1ccc(cc1)....
10 1RE8 Ki = 0.3 nM BD2 C27 H26 N2 O6 c1ccc(c(c1....
11 1SZM ic50 = 2.94 uM BI4 C27 H26 N4 O2 C[N@]1CCC[....
12 1REJ Ki = 5 nM B1L C20 H22 N2 O5 c1cc(ccc1C....
13 6SPY - LR8 C10 H13 N3 O2 c1cc(ncc1C....
14 6Z08 - NPO C6 H5 N O3 c1cc(ccc1[....
15 5IZJ - 6J9 C10 H13 N5 c1c[nH]c2c....
16 3AG9 Ki = 9 nM A02 C40 H70 N18 O9 [H]/N=C(N)....
17 5IZF Kd = 0.18 nM 6J9 AZ1 DAR ACA DAR NH2 n/a n/a
18 6YPS - P72 C7 H8 N2 O [H]/N=C(c1....
19 6Z44 - IPH C6 H6 O c1ccc(cc1)....
20 6SPU - GAB C7 H7 N O2 c1cc(cc(c1....
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1REK Ki = 200 nM B8L C32 H36 N2 O7 CC[C@H](C)....
2 6SOX - LQ2 C8 H7 N O3 c1cc(ccc1C....
3 3BWJ Kd = 0.319 uM ARX C28 H47 N15 O7 [H]/N=C(N)....
4 6SPS - LR5 C8 H6 F3 N O c1cc(ccc1C....
5 6SPM - 3AE C8 H5 F3 O2 c1cc(ccc1C....
6 3AGL Ki = 16 nM A03 C37 H63 N17 O9 [H]/N=C(N)....
7 6SNX - UNU C7 H7 N O c1ccc(cc1)....
8 6ZN0 - NTN C6 H7 N3 c1cnccc1C(....
9 6SNN - BEZ C7 H6 O2 c1ccc(cc1)....
10 1RE8 Ki = 0.3 nM BD2 C27 H26 N2 O6 c1ccc(c(c1....
11 1SZM ic50 = 2.94 uM BI4 C27 H26 N4 O2 C[N@]1CCC[....
12 1REJ Ki = 5 nM B1L C20 H22 N2 O5 c1cc(ccc1C....
13 6SPY - LR8 C10 H13 N3 O2 c1cc(ncc1C....
14 6Z08 - NPO C6 H5 N O3 c1cc(ccc1[....
15 5IZJ - 6J9 C10 H13 N5 c1c[nH]c2c....
16 3AG9 Ki = 9 nM A02 C40 H70 N18 O9 [H]/N=C(N)....
17 5IZF Kd = 0.18 nM 6J9 AZ1 DAR ACA DAR NH2 n/a n/a
18 6YPS - P72 C7 H8 N2 O [H]/N=C(c1....
19 6Z44 - IPH C6 H6 O c1ccc(cc1)....
20 6SPU - GAB C7 H7 N O2 c1cc(cc(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: NTN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 NTN 1 1
2 BEN 0.481481 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: NTN; Similar ligands found: 1125
No: Ligand Similarity coefficient
1 BAM 1.0000
2 NIO 1.0000
3 VGL 1.0000
4 BEZ 1.0000
5 UNU 1.0000
6 NCA 1.0000
7 PZA 1.0000
8 PBC 1.0000
9 AC0 1.0000
10 NBZ 1.0000
11 6PC 1.0000
12 BE7 1.0000
13 BNS 1.0000
14 SS1 1.0000
15 YCP 1.0000
16 QSC 0.9954
17 M58 0.9948
18 FOA 0.9911
19 IT2 0.9906
20 PYC 0.9898
21 C21 0.9894
22 JZ7 0.9890
23 TZC 0.9881
24 TP5 0.9870
25 PRO 0.9864
26 SMV 0.9861
27 265 0.9860
28 JBN 0.9858
29 IND 0.9820
30 GAG 0.9809
31 LZ1 0.9806
32 273 0.9799
33 PY7 0.9798
34 SS2 0.9798
35 FAN 0.9796
36 DEN 0.9796
37 5AC 0.9795
38 PHB 0.9793
39 NPO 0.9792
40 BZI 0.9782
41 CFI 0.9782
42 0R1 0.9769
43 4JP 0.9765
44 2PC 0.9763
45 MPI 0.9758
46 RSO 0.9758
47 HBX 0.9755
48 JAB 0.9755
49 GVH 0.9753
50 BZF 0.9749
51 PYF 0.9734
52 282 0.9733
53 OXQ 0.9732
54 HBD 0.9728
55 QUZ 0.9727
56 1Y6 0.9727
57 8GC 0.9724
58 BE2 0.9722
59 BHO 0.9719
60 UGC 0.9717
61 NPY 0.9717
62 OAA 0.9715
63 Z82 0.9711
64 SAL 0.9705
65 1PT 0.9699
66 3U4 0.9697
67 NBE 0.9694
68 IDM 0.9694
69 GBD 0.9692
70 JBE 0.9691
71 ISZ 0.9690
72 826 0.9687
73 54D 0.9684
74 NMJ 0.9682
75 ABN 0.9681
76 4CS 0.9679
77 2CK 0.9676
78 P72 0.9675
79 ES6 0.9674
80 4SV 0.9674
81 SYN 0.9674
82 PAB 0.9674
83 PBZ 0.9661
84 JZ5 0.9660
85 3AB 0.9660
86 SW7 0.9658
87 AMC 0.9649
88 AX7 0.9648
89 60P 0.9644
90 1DU 0.9643
91 4MA 0.9639
92 I1E 0.9639
93 MLT 0.9639
94 270 0.9635
95 J1Z 0.9634
96 1MR 0.9633
97 0CT 0.9629
98 GAB 0.9626
99 3NT 0.9625
100 JKE 0.9622
101 HIO 0.9620
102 3HB 0.9620
103 53C 0.9617
104 OVV 0.9611
105 0RW 0.9608
106 FEH 0.9608
107 HLR 0.9606
108 2K4 0.9606
109 MNN 0.9604
110 FPI 0.9601
111 OK7 0.9600
112 ABV 0.9598
113 1DJ 0.9596
114 NIZ 0.9595
115 BZX 0.9594
116 2MI 0.9594
117 6M9 0.9593
118 14O 0.9591
119 AC6 0.9591
120 5HN 0.9586
121 3SK 0.9584
122 7WV 0.9582
123 5H1 0.9581
124 9EW 0.9578
125 DYA 0.9576
126 FBM 0.9576
127 1WD 0.9576
128 SVN 0.9573
129 JZ9 0.9573
130 F60 0.9568
131 174 0.9566
132 FB2 0.9563
133 MRZ 0.9562
134 6M4 0.9560
135 FQI 0.9555
136 TZL 0.9555
137 ZBT 0.9555
138 HY3 0.9554
139 F05 0.9553
140 WCE 0.9551
141 5MB 0.9550
142 6AI 0.9547
143 14J 0.9547
144 TPA 0.9541
145 XM0 0.9540
146 P92 0.9539
147 UY7 0.9539
148 5MI 0.9536
149 BRT 0.9534
150 LMR 0.9529
151 ASP 0.9522
152 3BZ 0.9518
153 PMB 0.9516
154 HBA 0.9511
155 COI 0.9511
156 HSM 0.9510
157 VNJ 0.9500
158 PCA 0.9499
159 HYP 0.9492
160 JAE 0.9488
161 M4T 0.9485
162 3OC 0.9485
163 TFB 0.9479
164 PHU 0.9478
165 9CL 0.9476
166 M6W 0.9474
167 F9P 0.9472
168 3ID 0.9470
169 2RH 0.9470
170 XBT 0.9468
171 TEO 0.9464
172 FBJ 0.9459
173 7WG 0.9459
174 ES9 0.9452
175 PRS 0.9451
176 MXN 0.9451
177 SPA 0.9450
178 CXF 0.9441
179 1DQ 0.9437
180 4P5 0.9437
181 11S 0.9434
182 RSF 0.9434
183 SRT 0.9423
184 ADE 0.9421
185 HY1 0.9420
186 1DV 0.9419
187 4NC 0.9419
188 PZI 0.9413
189 NVI 0.9412
190 FCR 0.9412
191 PEA 0.9411
192 JB5 0.9409
193 DMD 0.9409
194 TZE 0.9406
195 3F0 0.9405
196 40E 0.9403
197 PAC 0.9403
198 PYJ 0.9402
199 NK 0.9401
200 3M0 0.9396
201 SHA 0.9391
202 DBH 0.9391
203 1P3 0.9390
204 QY9 0.9385
205 XX2 0.9383
206 NNO 0.9383
207 4VP 0.9383
208 DHB 0.9383
209 MZ0 0.9379
210 ISN 0.9378
211 K34 0.9377
212 FE DB1 0.9373
213 2HO 0.9373
214 3HA 0.9373
215 2AQ 0.9371
216 0TR 0.9371
217 ES5 0.9368
218 INO 0.9367
219 03V 0.9367
220 ASN 0.9367
221 H4N 0.9365
222 GJZ 0.9365
223 MZW 0.9362
224 TLA 0.9361
225 FK1 0.9361
226 J9T 0.9361
227 L3Q 0.9361
228 SWD 0.9359
229 ES7 0.9358
230 COU 0.9357
231 TSU 0.9357
232 KKN 0.9356
233 NXA 0.9352
234 FHB 0.9351
235 2CQ 0.9350
236 P9P 0.9348
237 5WV 0.9346
238 3HM 0.9340
239 MYJ 0.9339
240 PEL 0.9339
241 4JL 0.9339
242 TH0 0.9339
243 FA0 0.9338
244 APY 0.9332
245 1SQ 0.9331
246 93K 0.9330
247 QWN 0.9330
248 BP9 0.9329
249 HPA 0.9329
250 1WG 0.9328
251 KIV 0.9327
252 2LP 0.9326
253 QSB 0.9326
254 4A3 0.9325
255 10L 0.9323
256 RMN 0.9322
257 KYD 0.9321
258 4FS 0.9321
259 1MC 0.9320
260 1LQ 0.9319
261 OCH 0.9318
262 7N0 0.9318
263 7W4 0.9318
264 67N 0.9318
265 4JM 0.9316
266 CEE 0.9315
267 MAK 0.9314
268 9DA 0.9312
269 HSE 0.9310
270 PLQ 0.9308
271 R8A 0.9308
272 AHR 0.9308
273 JLZ 0.9307
274 271 0.9306
275 H42 0.9305
276 SAN 0.9302
277 1DW 0.9302
278 M1A 0.9301
279 7HP 0.9300
280 TH7 0.9300
281 RIB 0.9299
282 51R 0.9298
283 BVG 0.9298
284 150 0.9296
285 SIN 0.9293
286 URF 0.9292
287 5CU 0.9291
288 B24 0.9290
289 WBU 0.9286
290 HDH 0.9286
291 FUM 0.9284
292 9HX 0.9283
293 GYE 0.9283
294 CHB 0.9283
295 MAE 0.9283
296 XQ0 0.9282
297 2MH 0.9282
298 WOT 0.9280
299 DOB 0.9280
300 HX2 0.9280
301 3PF 0.9280
302 4HO 0.9279
303 O72 0.9279
304 9X7 0.9279
305 AAS 0.9279
306 8OZ 0.9279
307 BP1 0.9278
308 THE 0.9278
309 MCT 0.9276
310 HVQ 0.9275
311 5NU 0.9273
312 9TW 0.9273
313 PKU 0.9271
314 XCZ 0.9270
315 RBL 0.9268
316 8NY 0.9268
317 FBV 0.9268
318 BHA 0.9267
319 7MU 0.9267
320 N5J 0.9267
321 1P7 0.9266
322 PRI 0.9266
323 OHG 0.9266
324 DE5 0.9265
325 FP1 0.9265
326 JZ3 0.9264
327 Q88 0.9260
328 24W 0.9260
329 4JT 0.9260
330 EDG 0.9259
331 4M0 0.9259
332 69O 0.9258
333 FPN 0.9258
334 HQE 0.9258
335 4JU 0.9258
336 GRE 0.9255
337 1AB 0.9255
338 QXW 0.9254
339 6MP 0.9254
340 5SG 0.9251
341 7WA 0.9251
342 XYP 0.9251
343 IHB 0.9250
344 7B4 0.9250
345 DA1 0.9249
346 RHU 0.9249
347 ES1 0.9248
348 7CZ 0.9248
349 173 0.9245
350 1NP 0.9245
351 ES0 0.9243
352 GUA 0.9242
353 5RG 0.9241
354 HHA 0.9241
355 5IQ 0.9240
356 6M1 0.9240
357 FBA 0.9240
358 ET2 0.9238
359 5Q0 0.9237
360 PBE 0.9237
361 JPZ 0.9237
362 45L 0.9235
363 FBS 0.9232
364 4YS 0.9232
365 45C 0.9230
366 5B1 0.9229
367 PCR 0.9229
368 SMN 0.9229
369 MWM 0.9225
370 2AC 0.9225
371 HQY 0.9225
372 9RW 0.9225
373 TDR 0.9222
374 0R0 0.9222
375 DPR 0.9220
376 CWM 0.9219
377 PM6 0.9218
378 4ZE 0.9218
379 4WL 0.9218
380 3SL 0.9218
381 9TZ 0.9217
382 R2B 0.9216
383 6F0 0.9216
384 OTR 0.9214
385 AL0 0.9214
386 AMS 0.9212
387 LG4 0.9212
388 4ZA 0.9210
389 2ZV 0.9209
390 AC5 0.9208
391 FBW 0.9207
392 KOJ 0.9207
393 A09 0.9207
394 HMH 0.9204
395 4J8 0.9202
396 EKZ 0.9202
397 HCS 0.9202
398 FB1 0.9202
399 5QY 0.9202
400 H8N 0.9196
401 36R 0.9196
402 MLI 0.9196
403 LDU 0.9196
404 JYD 0.9194
405 IMR 0.9193
406 OXZ 0.9193
407 BVC 0.9192
408 ADZ 0.9191
409 F4Z 0.9190
410 LXC 0.9188
411 THR 0.9186
412 DAS 0.9185
413 GTQ 0.9185
414 6CS 0.9185
415 ALO 0.9181
416 4XR 0.9181
417 069 0.9178
418 ICF 0.9178
419 IFP 0.9176
420 CLW 0.9174
421 MLA 0.9174
422 5OB 0.9173
423 717 0.9173
424 ES4 0.9172
425 PYD 0.9171
426 ICP 0.9171
427 TC7 0.9170
428 URS 0.9169
429 25R 0.9169
430 R1X 0.9168
431 286 0.9168
432 280 0.9168
433 G3E 0.9167
434 OXC 0.9167
435 A1U 0.9165
436 C5J 0.9164
437 5MK 0.9164
438 SNE 0.9163
439 1SA 0.9163
440 5M0 0.9162
441 2MP 0.9161
442 3DO 0.9161
443 XYD 0.9160
444 PXY 0.9160
445 FPY 0.9160
446 HSO 0.9159
447 54G 0.9158
448 HIS 0.9158
449 DMG 0.9158
450 MLM 0.9157
451 34A 0.9156
452 261 0.9156
453 4XH 0.9154
454 3ZQ 0.9152
455 BTE 0.9151
456 4CL 0.9151
457 258 0.9151
458 98J 0.9150
459 VAL 0.9150
460 BZ3 0.9149
461 TAR 0.9149
462 FBB 0.9148
463 VGD 0.9148
464 MUC 0.9147
465 4CH 0.9145
466 5VM 0.9144
467 XBZ 0.9143
468 QOS 0.9142
469 ES2 0.9141
470 ORO 0.9141
471 FYU 0.9138
472 URQ 0.9137
473 EQT 0.9137
474 2D0 0.9135
475 PIM 0.9133
476 SPV 0.9132
477 D48 0.9130
478 23A 0.9128
479 K2T 0.9127
480 PEQ 0.9126
481 0V5 0.9126
482 HT4 0.9124
483 J5I 0.9124
484 MZG 0.9123
485 SE2 0.9122
486 DHR 0.9121
487 264 0.9119
488 PEP 0.9119
489 BML 0.9118
490 2YU 0.9116
491 GRO 0.9113
492 MRY 0.9113
493 NYL 0.9112
494 HH8 0.9112
495 2AL 0.9112
496 5UC 0.9111
497 51F 0.9111
498 275 0.9110
499 1P8 0.9109
500 ASC 0.9109
501 HX3 0.9109
502 5MH 0.9109
503 4JJ 0.9108
504 GLU 0.9108
505 RB5 0.9107
506 5XC 0.9106
507 P2D 0.9103
508 BEW 0.9103
509 XIY 0.9103
510 LT2 0.9103
511 8K2 0.9102
512 23W 0.9102
513 I3A 0.9098
514 12Q 0.9098
515 5JC 0.9096
516 278 0.9096
517 X0V 0.9095
518 1M2 0.9094
519 JZ2 0.9093
520 HAI 0.9092
521 BGC 0.9091
522 DS0 0.9090
523 GXE 0.9089
524 URP 0.9089
525 34D 0.9088
526 DTL 0.9088
527 AHB 0.9087
528 IP0 0.9086
529 CYH 0.9085
530 C2B 0.9084
531 K5W 0.9083
532 AZF 0.9082
533 4HS 0.9080
534 AGK 0.9080
535 JBH 0.9078
536 4NM 0.9077
537 1LN 0.9077
538 RM1 0.9076
539 2IM 0.9076
540 3PY 0.9075
541 SX1 0.9075
542 IPH 0.9075
543 43M 0.9074
544 9DG 0.9074
545 N4B 0.9072
546 1LM 0.9072
547 NOJ 0.9072
548 AW5 0.9070
549 CFP 0.9069
550 ZXD 0.9069
551 CRS 0.9069
552 AKG 0.9068
553 AEF 0.9067
554 TM7 0.9067
555 MBN 0.9067
556 CAQ 0.9066
557 27Y 0.9065
558 OXE 0.9065
559 GUN 0.9064
560 SSN 0.9060
561 3FH 0.9059
562 LEU 0.9058
563 KUF 0.9058
564 2BG 0.9057
565 Z6J 0.9056
566 IQ0 0.9056
567 2EZ 0.9055
568 AZA 0.9054
569 AAE 0.9053
570 4FA 0.9052
571 BSX 0.9051
572 2DR 0.9050
573 HH5 0.9050
574 YRL 0.9047
575 8CL 0.9047
576 GIF 0.9047
577 URA 0.9044
578 A2F 0.9042
579 IHG 0.9041
580 XUL 0.9041
581 JBK 0.9040
582 MWJ 0.9040
583 G3P 0.9039
584 R67 0.9039
585 PRA 0.9038
586 2KT 0.9037
587 I4B 0.9037
588 7HQ 0.9037
589 TTO 0.9036
590 3AP 0.9036
591 CXL 0.9033
592 5QX 0.9031
593 ANN 0.9031
594 RCO 0.9031
595 BR9 0.9030
596 OVM 0.9030
597 ECE 0.9030
598 2HQ 0.9029
599 MR1 0.9029
600 GOJ 0.9029
601 HHN 0.9029
602 V1L 0.9028
603 GDE 0.9028
604 G6D 0.9028
605 25W 0.9026
606 6GU 0.9025
607 TTL 0.9025
608 2AP 0.9024
609 RBJ 0.9024
610 XAN 0.9024
611 IGA 0.9024
612 7W1 0.9023
613 A13 0.9022
614 TLD 0.9022
615 L99 0.9022
616 SYV 0.9020
617 JA8 0.9019
618 4JN 0.9017
619 PIY 0.9017
620 CWS 0.9016
621 GLY GLY 0.9016
622 4AP 0.9016
623 3XX 0.9015
624 H3M 0.9014
625 DFB 0.9014
626 XYL 0.9010
627 FLA 0.9010
628 3MB 0.9009
629 2AS 0.9009
630 PXL 0.9008
631 0P6 0.9007
632 D1X 0.9007
633 SN4 0.9005
634 HQT 0.9004
635 JFJ 0.9004
636 284 0.9004
637 ITN 0.9003
638 6AP 0.9002
639 CTL 0.9002
640 OHP 0.9002
641 GLC 0.9002
642 4JO 0.9001
643 86J 0.8999
644 DX4 0.8999
645 3CH 0.8999
646 C2A 0.8998
647 SKM 0.8998
648 SVD 0.8997
649 LER 0.8994
650 HVK 0.8994
651 HRZ 0.8993
652 LG3 0.8990
653 QSH 0.8990
654 1XN 0.8989
655 PAF 0.8988
656 M3H 0.8988
657 H95 0.8988
658 JZ1 0.8987
659 QMP 0.8987
660 XLS 0.8986
661 97T 0.8986
662 6RQ 0.8985
663 9YL 0.8985
664 IFM 0.8985
665 TIU 0.8984
666 OVP 0.8982
667 XRG 0.8981
668 4AA 0.8981
669 259 0.8981
670 KMT 0.8979
671 24B 0.8979
672 4FH 0.8978
673 DOR 0.8978
674 2CH 0.8977
675 2FY 0.8977
676 GZL 0.8977
677 26D 0.8976
678 HPY 0.8976
679 8CM 0.8973
680 F81 0.8973
681 HC4 0.8972
682 GZ3 0.8971
683 92K 0.8971
684 S76 0.8968
685 HPS 0.8967
686 93B 0.8965
687 HMU 0.8964
688 2PG 0.8963
689 CYT 0.8962
690 DHK 0.8961
691 HDA 0.8960
692 FCA 0.8959
693 OW4 0.8958
694 ARB 0.8958
695 A7W 0.8958
696 IUR 0.8958
697 LNR 0.8957
698 BVF 0.8956
699 EA1 0.8956
700 CSS 0.8955
701 141 0.8955
702 BOA 0.8954
703 NEQ 0.8954
704 1GP 0.8952
705 290 0.8952
706 42A 0.8951
707 SKA 0.8951
708 FUL 0.8951
709 TYL 0.8950
710 3AL 0.8950
711 PNZ 0.8950
712 8H8 0.8949
713 DHQ 0.8949
714 40O 0.8947
715 XYS 0.8945
716 PPR 0.8943
717 2CO 0.8941
718 IFL 0.8940
719 IDH 0.8938
720 YH7 0.8937
721 CRN 0.8936
722 IOM 0.8936
723 L60 0.8936
724 PIH 0.8935
725 HIU 0.8935
726 9PO 0.8934
727 FBT 0.8934
728 DGJ 0.8933
729 LZM 0.8931
730 32X 0.8931
731 AZG 0.8931
732 IOL 0.8930
733 25T 0.8929
734 3QM 0.8929
735 LGA 0.8929
736 MET 0.8928
737 9TY 0.8928
738 DGY 0.8926
739 2EC 0.8925
740 P3K 0.8925
741 2FT 0.8924
742 ODO 0.8924
743 ABU 0.8923
744 KG7 0.8921
745 A2Q 0.8921
746 NSP 0.8921
747 HGW 0.8921
748 5GU 0.8920
749 KJH 0.8919
750 3NY 0.8919
751 DIN 0.8919
752 ZZT 0.8919
753 8WO 0.8918
754 0HO 0.8918
755 IZC 0.8917
756 AZ8 0.8917
757 LG5 0.8916
758 KJU 0.8915
759 RNT 0.8914
760 BNF 0.8913
761 RUU 0.8913
762 JZ4 0.8912
763 Q24 0.8911
764 JZ0 0.8911
765 MQN 0.8910
766 SC2 0.8909
767 BCP 0.8908
768 4SX 0.8906
769 BPN 0.8906
770 MS9 0.8906
771 PRY 0.8906
772 T9G 0.8906
773 PGA 0.8905
774 SEP 0.8905
775 DUC 0.8905
776 4MV 0.8902
777 IF7 0.8900
778 K7M 0.8900
779 MRW 0.8900
780 YAN 0.8899
781 ASO 0.8899
782 23J 0.8897
783 RNS 0.8897
784 LDP 0.8897
785 47J 0.8894
786 URC 0.8893
787 4HC 0.8891
788 T2C 0.8890
789 4P0 0.8888
790 0CU 0.8888
791 4JQ 0.8887
792 IV2 0.8886
793 G2F 0.8886
794 0W8 0.8884
795 0HN 0.8883
796 9MG 0.8882
797 24T 0.8880
798 93Q 0.8880
799 92Z 0.8879
800 E5X 0.8879
801 3Z7 0.8877
802 8GF 0.8876
803 M3T 0.8875
804 MT0 0.8875
805 52C 0.8875
806 HEW 0.8874
807 E60 0.8873
808 82I 0.8873
809 FGZ 0.8873
810 GLL 0.8873
811 4BZ 0.8873
812 938 0.8872
813 MWP 0.8872
814 PYG 0.8871
815 TMZ 0.8871
816 B57 0.8870
817 E7Z 0.8870
818 FDB 0.8870
819 MZB 0.8870
820 1AN 0.8869
821 ICC 0.8868
822 1XM 0.8868
823 5RN 0.8867
824 L89 0.8866
825 1DH 0.8866
826 MAN 0.8866
827 PAE 0.8865
828 R9S 0.8865
829 FOT 0.8864
830 FP2 0.8863
831 IPB 0.8863
832 3MC 0.8862
833 HGQ 0.8862
834 HYN 0.8861
835 JIF 0.8861
836 FUC 0.8861
837 4ZC 0.8861
838 UNC 0.8861
839 CEJ 0.8860
840 0TU 0.8860
841 DHS 0.8859
842 RIP 0.8859
843 KT7 0.8858
844 NLE 0.8858
845 KTA 0.8857
846 2AF 0.8856
847 NVA 0.8855
848 HHH 0.8855
849 0MK 0.8855
850 6NT 0.8854
851 AJ2 0.8854
852 FUB 0.8853
853 C2U 0.8853
854 ORN 0.8851
855 4XX 0.8851
856 APG 0.8850
857 HTS 0.8849
858 3Z8 0.8848
859 EDR 0.8846
860 Y8I 0.8846
861 F4E 0.8846
862 2ZM 0.8845
863 M5K 0.8844
864 SD4 0.8844
865 HQJ 0.8844
866 263 0.8843
867 3WA 0.8843
868 4YO 0.8842
869 4Z4 0.8841
870 8LG 0.8841
871 LEA 0.8841
872 B3R 0.8840
873 4H2 0.8838
874 ABE 0.8837
875 F5B 0.8837
876 3IT 0.8835
877 DIU 0.8833
878 76X 0.8831
879 J9N 0.8830
880 KBB 0.8830
881 F31 0.8829
882 SJ5 0.8828
883 OGA 0.8827
884 VNL 0.8827
885 285 0.8826
886 RJY 0.8824
887 MEW 0.8824
888 Q6T 0.8824
889 L5V 0.8823
890 PBA 0.8822
891 NDH 0.8821
892 F9Y 0.8820
893 SWA 0.8820
894 HJP 0.8819
895 SER 0.8819
896 XIX 0.8818
897 CIZ 0.8818
898 DSN 0.8817
899 LCN 0.8815
900 EYK 0.8815
901 BTY 0.8814
902 DBX 0.8812
903 ABI 0.8812
904 MPD 0.8810
905 AQO 0.8809
906 CIG 0.8806
907 GG6 0.8804
908 GIO 0.8804
909 PHE 0.8801
910 EXO 0.8801
911 PE0 0.8800
912 DFU 0.8800
913 6X8 0.8800
914 MBD 0.8800
915 13P 0.8800
916 RAM 0.8800
917 FBU 0.8799
918 GLN 0.8798
919 0JD 0.8796
920 CYS 0.8793
921 TGX 0.8791
922 2HU 0.8790
923 NCT 0.8790
924 2A9 0.8789
925 3A9 0.8788
926 B55 0.8786
927 8S0 0.8783
928 AZ9 0.8783
929 JBQ 0.8782
930 SYG 0.8781
931 6NI 0.8781
932 PZM 0.8781
933 ABA 0.8779
934 A29 0.8778
935 5NI 0.8778
936 G4D 0.8778
937 BCU 0.8777
938 64K 0.8777
939 PAH 0.8776
940 4VY 0.8776
941 AKH 0.8776
942 YHO 0.8776
943 N2Z 0.8775
944 MNM 0.8775
945 R8V 0.8774
946 G3F 0.8774
947 HHQ 0.8774
948 XQG 0.8773
949 MJ2 0.8772
950 XAZ 0.8772
951 X1S 0.8771
952 IPZ 0.8770
953 7NI 0.8770
954 IPU 0.8769
955 ZZ3 0.8769
956 CTS 0.8768
957 75K 0.8767
958 S0H 0.8767
959 3FA 0.8766
960 5JQ 0.8766
961 8TX 0.8765
962 DEE 0.8764
963 FFP 0.8763
964 GAL 0.8763
965 JAW 0.8762
966 GMN 0.8762
967 8ZE 0.8760
968 FW5 0.8760
969 8WT 0.8759
970 IVA 0.8759
971 TMT 0.8756
972 FLM 0.8756
973 XXR 0.8756
974 1F1 0.8755
975 BEA 0.8755
976 RUY 0.8754
977 ARA 0.8754
978 FPK 0.8753
979 R8S 0.8749
980 ACH 0.8748
981 SAT 0.8748
982 NOY 0.8746
983 2C9 0.8744
984 CP 0.8744
985 M2H 0.8743
986 QWW 0.8742
987 GVG 0.8741
988 QX2 0.8740
989 7MH 0.8739
990 H76 0.8737
991 4HM 0.8737
992 FK8 0.8737
993 M0W 0.8734
994 DQY 0.8733
995 ALL 0.8732
996 42C 0.8731
997 495 0.8731
998 SAR 0.8730
999 M1E 0.8730
1000 4XV 0.8730
1001 HLZ 0.8725
1002 6OT 0.8725
1003 8IG 0.8724
1004 SOE 0.8723
1005 2MY 0.8721
1006 M6N 0.8721
1007 MED 0.8720
1008 MUA 0.8720
1009 2HG 0.8718
1010 DRL 0.8718
1011 M2K 0.8718
1012 5JL 0.8717
1013 IWT 0.8716
1014 J9W 0.8713
1015 DGN 0.8711
1016 ICO 0.8711
1017 MSR 0.8711
1018 2F6 0.8710
1019 YTB 0.8710
1020 42J 0.8709
1021 FA1 0.8709
1022 B53 0.8708
1023 BZ2 0.8707
1024 IJZ 0.8707
1025 LLQ 0.8706
1026 LGC 0.8706
1027 DXX 0.8705
1028 0OC 0.8705
1029 GLA 0.8699
1030 AJV 0.8690
1031 6TZ 0.8687
1032 HQD 0.8686
1033 3CE 0.8686
1034 M0Q 0.8685
1035 HZQ 0.8685
1036 4SD 0.8685
1037 35C 0.8684
1038 GP9 0.8681
1039 ADK 0.8679
1040 3DM 0.8677
1041 V55 0.8676
1042 4M4 0.8675
1043 15E 0.8675
1044 MO8 0.8673
1045 M1Q 0.8672
1046 2H5 0.8671
1047 7VS 0.8671
1048 CPZ 0.8670
1049 GAF 0.8670
1050 SNU 0.8667
1051 9FL 0.8666
1052 3MH 0.8666
1053 GCS 0.8665
1054 CMS 0.8664
1055 F0J 0.8659
1056 DMJ 0.8657
1057 2FG 0.8656
1058 DUB 0.8656
1059 PMF 0.8655
1060 2CM 0.8655
1061 GOL 0.8655
1062 192 0.8654
1063 BUA 0.8653
1064 JXN 0.8653
1065 9X6 0.8649
1066 N2I 0.8649
1067 J9Q 0.8648
1068 149 0.8648
1069 T6C 0.8648
1070 ICB 0.8647
1071 OPE 0.8647
1072 GTR 0.8646
1073 GXY 0.8644
1074 PRZ 0.8643
1075 0N7 0.8643
1076 UFV 0.8642
1077 GXL 0.8641
1078 NK2 0.8640
1079 TEP 0.8638
1080 EUG 0.8638
1081 7VD 0.8634
1082 4HP 0.8632
1083 LSA 0.8627
1084 6MH 0.8626
1085 2A7 0.8625
1086 FUF 0.8623
1087 5RO 0.8622
1088 12M 0.8620
1089 WOO 0.8619
1090 4XS 0.8618
1091 39A 0.8618
1092 N3W 0.8618
1093 KJY 0.8616
1094 JF6 0.8612
1095 M45 0.8612
1096 TB6 0.8611
1097 ESP 0.8608
1098 DIE 0.8606
1099 BXO 0.8600
1100 HXX 0.8596
1101 0FO 0.8592
1102 TM4 0.8587
1103 OMD 0.8585
1104 ADA 0.8582
1105 6UA 0.8581
1106 TAG 0.8580
1107 3RK 0.8579
1108 INS 0.8578
1109 MSE 0.8577
1110 1XX 0.8572
1111 9CA 0.8572
1112 AX2 0.8566
1113 37T 0.8563
1114 DGL 0.8561
1115 DTU 0.8561
1116 Q02 0.8559
1117 13X 0.8557
1118 MPV 0.8551
1119 MSF 0.8551
1120 2AK 0.8549
1121 1SP 0.8549
1122 5AN 0.8539
1123 BR8 0.8532
1124 0F9 0.8524
1125 3AY 0.8506
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5IZF; Ligand: 6J9 AZ1 DAR ACA DAR NH2; Similar sites found with APoc: 91
This union binding pocket(no: 1) in the query (biounit: 5izf.bio1) has 52 residues
No: Leader PDB Ligand Sequence Similarity
1 4OAV ACP 6.83761
2 4OAV ACP 6.83761
3 6AC9 ANP 8.54701
4 4OH4 ANP 14.4144
5 4OH4 ANP 14.4144
6 6JKM ADP 22.8739
7 4JR7 GNP 25.9259
8 3UIM ANP 27.6074
9 6FYL 3NG 27.9202
10 4H3P ANP 28.2051
11 4H3P ANP 28.2051
12 4UX9 ANP 29.9145
13 5Y86 HRM 29.9145
14 4UX9 ANP 29.9145
15 4UX9 ANP 29.9145
16 4UX9 ANP 29.9145
17 6P5S 3NG 30.1994
18 5ZTN CUR 30.4843
19 1U5R ATP 30.7443
20 6F3G CJN 30.8475
21 3ALN ANP 30.8869
22 5X8I SQZ 31.2139
23 5X8I SQZ 31.2139
24 6XX7 ANP 31.5789
25 6FYV 3NG 31.7507
26 3HMO STU 31.9066
27 3HMO STU 31.9066
28 5HVJ ANP 32.0635
29 6A1G 9OL 32.1937
30 6YA7 ADP 32.1937
31 6K0J CQO 32.4159
32 2JLD AG1 33.0484
33 2JLD AG1 33.0484
34 3PTG 932 33.3333
35 4NM5 ADP 33.4302
36 4NM5 ADP 33.4302
37 6K3L 3NG 33.432
38 3PLS ANP 33.8926
39 6VRF ADP 34.4482
40 6VRF ADP 34.4482
41 1UNH IXM 35.9589
42 3O0G 3O0 35.9589
43 1UNH IXM 35.9589
44 4YZN 4K5 36.5854
45 2A19 ANP 36.6197
46 1JPA ANP 36.859
47 4CFU 2WC 36.9637
48 4CFU 2WC 36.9637
49 4BCQ TJF 37.2093
50 4BCM T7Z 37.2093
51 4BCM T7Z 37.2093
52 4BCQ TJF 37.2093
53 4BCN T9N 37.3333
54 4BCN T9N 37.3333
55 6GUE FB8 37.4172
56 6GUE FB8 37.4172
57 5UPK ANP 37.5723
58 2PVF ACP 37.7246
59 4X7Q 3YR 37.8205
60 4X7Q 3YR 37.8205
61 2YAB AMP 38.4615
62 2YAB AMP 38.4615
63 3BU5 ATP 38.5621
64 3DLS ADP 38.806
65 3DLS ADP 38.806
66 3DLS ADP 38.806
67 3DLS ADP 38.806
68 3DLS ADP 38.806
69 3DLS ADP 38.806
70 3DLS ADP 38.806
71 3DLS ADP 38.806
72 3DLS ADP 38.806
73 3DLS ADP 38.806
74 3DLS ADP 38.806
75 3DLS ADP 38.806
76 3GQI ACP 38.9571
77 1U59 STU 39.3728
78 5WNL STU 39.6947
79 5WNL STU 39.6947
80 4BFM ANP 40.4192
81 3KN5 ANP 40.6154
82 3KN5 ANP 40.6154
83 1BYG STU 43.1655
84 3SRV S19 44.0433
85 3SRV S19 44.0433
86 3CY2 MB9 44.2675
87 4L9I 8PR 45.584
88 2YAK OSV 47.0175
89 6QAV HVH 47.5
90 6PJX SGV 47.8632
91 4WNK 453 48.433
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