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Receptor
PDB id Resolution Class Description Source Keywords
1CM8 2.4 Å EC: 2.-.-.- PHOSPHORYLATED MAP KINASE P38-GAMMA HOMO SAPIENS P38-GAMMA GAMMA PHOSPHORYLATION MAP KINASE TRANSFERASE
Ref.: THE STRUCTURE OF PHOSPHORYLATED P38GAMMA IS MONOMERIC AND REVEALS A CONSERVED ACTIVATION-LOOP CONFORMATION. STRUCTURE FOLD.DES. V. 7 1057 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ANP A:400;
B:1400;
Valid;
Valid;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
MG A:401;
A:402;
B:1401;
B:1402;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CM8 2.4 Å EC: 2.-.-.- PHOSPHORYLATED MAP KINASE P38-GAMMA HOMO SAPIENS P38-GAMMA GAMMA PHOSPHORYLATION MAP KINASE TRANSFERASE
Ref.: THE STRUCTURE OF PHOSPHORYLATED P38GAMMA IS MONOMERIC AND REVEALS A CONSERVED ACTIVATION-LOOP CONFORMATION. STRUCTURE FOLD.DES. V. 7 1057 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 1CM8 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70% Homology Family (159)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 3GCV Kd = 74 nM SS6 C29 H30 N8 O Cc1cccc(c1....
2 3L8S Kd = 99 nM BFF C20 H24 Br F2 N5 O3 S c1c(cc(c(c....
3 3RIN ic50 = 1.3 nM I2O C23 H24 N2 O2 Cc1ccc(cc1....
4 5N65 - 8OT C20 H18 N4 S c1ccc(cc1)....
5 4FA2 - SB0 C20 H21 F N4 O2 COc1nccc(n....
6 2GHM - LIC C24 H28 Cl N5 O3 C[C@@H](C(....
7 1W84 ic50 = 35 uM L12 C15 H14 N2 c1ccc2c(c1....
8 4EH5 - IRG C17 H16 N4 c1ccc(cc1)....
9 2BAK Kd = 37 nM AQZ C32 H37 N7 O4 Cc1ccc(cc1....
10 3HV6 ic50 = 5500 nM R39 C27 H35 N5 O3 Cc1ccc(cc1....
11 3HP2 - P36 C19 H16 Br N O2 c1ccc(cc1)....
12 1WBO ic50 = 1 mM 2CH C6 H5 Cl O c1ccc(c(c1....
13 4KIQ ic50 = 23 nM 1RA C23 H23 N3 O4 CCOC(=O)n1....
14 3GC7 ic50 = 0.4 nM B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
15 4EH6 - IRG C17 H16 N4 c1ccc(cc1)....
16 5MTX Kd = 17.7 nM FJI C34 H31 F N4 O5 c1ccc(cc1)....
17 2ZB0 Ki = 0.24 uM GK3 C24 H18 N4 O2 Cc1ccc(cc1....
18 2GTM ic50 = 542 nM LID C19 H15 Cl F2 N6 CCn1c2c(cn....
19 5N66 - B96 C31 H37 N5 O3 Cc1ccc(cc1....
20 2YIX Kd = 3.3 nM YIX C19 H23 N5 O S CCNC(=O)NC....
21 3OCG ic50 = 3 nM OCG C21 H18 N6 O3 Cc1ccc(cc1....
22 1BL7 - SB4 C18 H19 F N6 c1cc(ccc1c....
23 3P7C ic50 = 0.022 uM P7C C25 H33 Cl2 N5 O3 S CC(C)(C)c1....
24 5TBE Kd = 4.4 nM 78L C33 H30 F2 N4 O4 S c1cc(sc1)C....
25 4KIP ic50 = 7 nM 1R9 C21 H18 Cl N3 O2 S Cc1ccc(cc1....
26 2EWA - SB2 C21 H16 F N3 O S C[S@](=O)c....
27 2GHL - LIB C23 H26 Cl N5 O3 C[C@@H](C(....
28 1ZZ2 ic50 = 6 uM B11 C24 H26 F N3 O4 S c1ccc(c(c1....
29 3ZSI - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
30 2YIW - YIW C30 H33 N7 O S CC(C)c1nnc....
31 5WJJ ic50 = 5.4 nM AQY C25 H19 F N6 O2 Cc1cc(ccc1....
32 1A9U - SB2 C21 H16 F N3 O S C[S@](=O)c....
33 1M7Q ic50 = 2.6 nM DQO C24 H20 Cl2 F2 N4 O c1cc(c(c(c....
34 5MTY Kd = 1.3 nM HB9 C29 H23 F2 N3 O4 S c1cc(sc1)C....
35 4EH7 - IRG C17 H16 N4 c1ccc(cc1)....
36 1YQJ ic50 = 7.3 nM 6NP C30 H27 N5 c1ccc(cc1)....
37 4EH3 - NAR C15 H12 O5 c1cc(ccc1[....
38 4AA5 ic50 = 6.7 nM NQB C24 H27 N5 O2 Cc1ccc(cc1....
39 1OVE ic50 = 0.74 nM 358 C26 H22 Cl2 F2 N2 O c1cc(c(c(c....
40 3UVP ic50 = 0.035 uM 048 C24 H21 F N2 O2 c1ccc(cc1)....
41 5N67 - 8ON C28 H30 N6 O CC(=O)N1CC....
42 3NNV ic50 = 27 nM 437 C25 H26 N4 O2 CC(C)(C)c1....
43 3CTQ ic50 = 40 nM 337 C30 H34 N6 O5 S Cc1ccc(cc1....
44 3IW7 - IPK C26 H26 N4 O S c1ccc(cc1)....
45 3ITZ ic50 = 1.4 nM P66 C21 H15 Cl F2 N6 O c1cc(c(c(c....
46 2ZB1 Ki = 0.48 uM GK4 C21 H21 N3 O2 Cc1ccc(cc1....
47 3HV5 ic50 = 150 nM R24 C30 H29 N7 O3 Cc1ccc(cc1....
48 1WBW ic50 = 44 uM LI4 C16 H14 N2 O c1ccc2c(c1....
49 3P79 ic50 = 2.3 uM P79 C24 H29 N5 O4 S CC(C)(C)c1....
50 3HV7 ic50 = 90 nM 1AU C24 H25 N5 O CC(C)(C)c1....
51 3GFE ic50 = 3.2 nM P37 C24 H21 F2 N5 O2 Cc1ccc(cc1....
52 3ZYA - 2A8 C21 H18 N2 O c1ccc2c(c1....
53 2RG5 ic50 = 3.1 nM 279 C19 H22 N6 O3 CCNC(=O)c1....
54 3L8X ic50 = 10 nM N4D C20 H18 N6 O Cc1ccc(cc1....
55 3GCS Kd = 56 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
56 3ZS5 - SB2 C21 H16 F N3 O S C[S@](=O)c....
57 3D83 Ki = 4.4 nM GK6 C28 H30 N4 O3 Cc1ccc(cc1....
58 1YW2 ic50 = 141 nM PGJ C22 H18 F N3 O5 CCOC[N@]1C....
59 1W82 ic50 = 196 nM L10 C20 H21 Cl N4 O CC(C)(C)C1....
60 3ZSG - T75 C24 H21 N3 O S CCc1nc(c(s....
61 5TCO Kd = 3.14 nM 79Q C35 H33 F N4 O4 c1ccc(cc1)....
62 4EH8 - IRG C17 H16 N4 c1ccc(cc1)....
63 3GCP Kd = 15 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
64 3HLL Ki = 0.0058 uM I45 C22 H19 Br F2 N2 O3 Cc1ccc(cc1....
65 1ZZL ic50 = 5 nM TZY C18 H15 F N4 O CC(C)c1nnc....
66 2RG6 ic50 = 2.2 nM 287 C25 H26 N6 O3 Cc1ccc(cc1....
67 3MPT ic50 = 0.25 uM 1GK C18 H16 N2 O3 Cc1ccccc1C....
68 1BL6 - SB6 C18 H16 F N3 c1cc(ccc1c....
69 3NNW ic50 = 9 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
70 3GI3 Kd < 1.8 nM B10 C33 H39 N5 O5 S CC(C)(C)c1....
71 3K3J - I46 C14 H9 F2 N3 c1cc(ccc1c....
72 3HEC ic50 = 70 uM STI C29 H31 N7 O Cc1ccc(cc1....
73 1IAN - D13 C21 H16 I N3 O S C[S@@](=O)....
74 3FC1 - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
75 3MVM ic50 = 13 nM 39P C22 H23 N7 O3 CCCNC(=O)c....
76 3NNU ic50 = 48 nM EDB C22 H17 Cl2 N5 O2 S c1cc(cc(c1....
77 1W7H ic50 = 1 mM 3IP C12 H12 N2 O c1ccc(cc1)....
78 3U8W ic50 = 1 nM 09J C24 H21 Cl F N5 O2 CCN1C(=O)C....
79 1WBS ic50 = 0.63 uM LI2 C26 H25 F N4 O2 c1cc2c(cc1....
80 4E6C Kd ~ 15 uM 0O8 C25 H53 N O4 P CCCCCCCCCC....
81 5N68 - 8OK C26 H27 N5 O c1ccc(cc1)....
82 1WBV ic50 = 162 uM LI3 C19 H18 F N3 O2 c1cc2c(cc[....
83 4EH2 - IRG C17 H16 N4 c1ccc(cc1)....
84 3HA8 - 5JZ C36 H38 N8 O5 CCOc1nc(nc....
85 3HEG ic50 = 0.057 uM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
86 2ZAZ Ki = 0.4 uM GK1 C20 H15 N3 O2 S Cc1ccc(cc1....
87 3HP5 - I46 C14 H9 F2 N3 c1cc(ccc1c....
88 5ML5 ic50 = 10 nM 1VI C26 H25 F N4 O3 S COc1ccc(c(....
89 4DLI Kd = 2.4 uM IRG C17 H16 N4 c1ccc(cc1)....
90 3P78 ic50 = 0.11 uM P78 C24 H27 N3 O4 S2 CC(C)(C)c1....
91 4EH9 - IRG C17 H16 N4 c1ccc(cc1)....
92 1YWR ic50 = 32 nM LI9 C27 H29 F N6 O C[C@@H](c1....
93 3IW5 Kd = 0.839 uM DF3 C28 H24 F3 N3 O4 S c1ccc2c(c1....
94 3HV3 ic50 = 900 nM R49 C30 H31 N7 O Cc1cccc(c1....
95 4A9Y - RNY C32 H37 N7 O4 Cc1ccc(cc1....
96 3GCU - R48 C29 H30 N8 O Cc1ccc(cc1....
97 1OUY ic50 = 4.3 nM 094 C24 H18 Cl2 F2 N4 O S c1cc(c(c(c....
98 3D7Z Ki = 12 nM GK5 C22 H24 N2 O2 Cc1ccc(cc1....
99 2YIS - YIS C35 H34 Cl N7 O3 S2 CC(C)(C)c1....
100 1OUK ic50 = 0.13 nM 084 C28 H29 F3 N6 C[C@@H](c1....
101 3BV2 Ki = 0.44 nM P38 C33 H32 N8 O3 Cc1ccc(cc1....
102 4R3C - GG5 C14 H10 F N3 c1cc(ccc1c....
103 4L8M ic50 = 0.001 uM F46 C33 H30 F N3 O5 c1ccc(cc1)....
104 4E6A - 0O9 C32 H65 O10 P CCCCCCCCCC....
105 1WBN ic50 = 0.35 uM L09 C20 H22 Cl N5 O2 CC(C)(C)c1....
106 2QD9 ic50 = 13 nM LGF C27 H24 F2 N6 O5 COc1c(cc2c....
107 3HUC Kd = 1030 nM G97 C20 H16 N6 O C=CC(=O)Nc....
108 3HL7 Ki = 0.023 uM I47 C20 H20 Cl N5 O2 c1cc(ccc1c....
109 4EHV - IRG C17 H16 N4 c1ccc(cc1)....
110 2GTN ic50 = 4 nM LIE C20 H16 F3 N5 O CC(C)n1c2c....
111 3HRB ic50 = 21 nM I39 C19 H14 F2 N2 O2 Cc1ccccc1c....
112 3BX5 ic50 = 1.5 nM 304 C17 H22 N4 O2 S CC[C@@H](C....
113 3HVC ic50 = 600 nM GG5 C14 H10 F N3 c1cc(ccc1c....
114 2GFS ic50 = 0.7 uM PQB C19 H18 F N3 O4 c1cc(cc(c1....
115 5N63 - 8OW C21 H17 F N4 c1ccc(cc1)....
116 2NPQ Kd = 3.08 uM BOG C14 H28 O6 CCCCCCCCO[....
117 3IW6 Kd = 3.29 uM PP0 C23 H31 N3 O3 CCn1c(c(c(....
118 3S4Q ic50 = 4 nM NK0 C25 H23 N5 O2 Cc1ccc(cc1....
119 2BAJ Kd = 4 nM 1PP C20 H20 Cl2 N4 O CC(C)(C)c1....
120 3ROC - 29B C14 H10 F N3 c1cc(ccc1c....
121 3NWW ic50 = 7 nM 3NW C24 H34 N8 O S CCNC(=O)NC....
122 1W83 ic50 = 0.065 uM L11 C23 H25 Cl F N3 O3 c1cc(cnc1)....
123 3ZSH - 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
124 3IPH Ki = 0.0000251 mM G11 C21 H23 N3 O2 Cc1ccc(cc1....
125 5MZ3 ic50 = 0.00021 uM 8EN C24 H19 F3 N4 O2 Cc1ccc(cc1....
126 3P7B ic50 = 0.018 uM P7B C25 H28 N4 O3 S CC(C)(C)c1....
127 3GCQ Kd = 342 nM 1BU C29 H30 N8 O Cc1cccc(c1....
128 4F9Y Ki = 184 nM LM3 C21 H18 N4 CN(C)c1cc(....
129 2BAL Kd = 490 nM PQA C21 H21 F N4 O2 c1cc(cc(c1....
130 3HUB Kd = 8.2 nM 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
131 4F9W Ki = 114 nM LM4 C21 H18 N4 CN(C)c1cc(....
132 3P5K ic50 = 0.076 uM P5K C24 H27 N3 O4 S2 CC(C)(C)c1....
133 2I0H ic50 = 9 nM 222 C27 H19 Cl2 F N4 O3 c1ccc2c(c1....
134 1ZYJ ic50 = 1.5 uM BI5 C19 H16 N2 O2 c1ccc(cc1)....
135 3K3I - JZJ C18 H16 Br N3 c1ccc2c(c1....
136 1WBT ic50 = 0.34 uM WBT C26 H25 F N4 O2 c1cc(cc2c1....
137 1BMK - SB5 C17 H16 F N5 c1cc(ccc1c....
138 3E92 Ki = 10 nM G6A C21 H21 N3 O2 Cc1ccc(cc1....
139 3P7A ic50 = 0.52 uM P7A C23 H27 N3 O3 S2 CC(C)(C)c1....
140 6ANL ic50 = 240 nM T75 C24 H21 N3 O S CCc1nc(c(s....
141 3NNX ic50 = 11 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
142 4EH4 - IRG C17 H16 N4 c1ccc(cc1)....
143 1KV1 Kd = 1.16 uM BMU C15 H19 Cl N4 O CC(C)(C)c1....
144 3KF7 ic50 = 40 nM L9G C22 H18 F2 N4 O Cc1ccc(cc1....
145 4KIN ic50 = 4.8 nM 1M8 C22 H19 Cl N2 O2 S Cc1ccc(cc1....
146 4AA4 ic50 = 9 nM QC0 C25 H25 N5 O3 Cc1ccc(cc1....
147 5XYY ic50 = 9.221 uM P0F C15 H12 Cl F N4 O c1cc(cc(c1....
148 3E93 Ki = 1.4 nM 19B C30 H32 N4 O3 Cc1ccc(cc1....
149 4AAC ic50 = 16 nM AAV C24 H24 N6 O3 Cc1ccc(cc1....
150 4AA0 ic50 = 35 nM AA0 C30 H33 N7 O3 Cc1ccc(cc1....
151 1OZ1 ic50 = 6.5 nM FPH C18 H12 F N3 O c1cc2c(c(c....
152 5N64 - 8OH C19 H16 N4 S c1ccc(cc1)....
153 3IW8 Kd = 13.4 uM HIZ C19 H18 Cl F N4 O2 S c1ccc(cc1)....
154 3GC8 - B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
155 3GC9 - B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
156 4EYM - 0RX C21 H20 N4 O3 c1cc(ccc1N....
157 5EKO ic50 = 15785 nM N17 C22 H18 N4 O2 Cc1cn(cn1)....
158 4EYJ - N61 C20 H23 N5 O2 CC(C)(C)c1....
159 1CM8 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (281)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 4FBX - 0TJ GLY ASP ASP ASP ASP ASP n/a n/a
2 5OUU - AWN C22 H20 Cl N3 c1ccc(cc1)....
3 4RLL - E91 C21 H14 N2 O2 c1ccc2c(c1....
4 5CU4 Kd = 0.32 uM 54S C26 H26 Cl N3 O4 c1ccc(cc1)....
5 4O6E ic50 = 1 nM 2SH C21 H25 Cl F N5 O3 c1cc(c(cc1....
6 5NHJ ic50 < 0.0003 uM 8XE C18 H21 N7 O2 Cn1c(ccn1)....
7 4QYY Kd = 0.05 uM 3G7 C25 H29 Cl N4 O4 CC(=O)c1cc....
8 4I5H Ki < 2 nM G17 C26 H21 F3 N4 O Cc1ccc(cc1....
9 6G93 ic50 = 11 nM EU2 C17 H17 Cl N4 O2 c1cc2c(cc1....
10 4QTE Kd = 0.084 uM 390 C24 H20 Cl2 F N5 O2 Cc1cnc(nc1....
11 4XNE - TT4 C8 H9 N5 c1ccc(cc1)....
12 3QYW - 6PB C11 H8 Br N5 c1cc(cc(c1....
13 5BUE ic50 = 0.003 uM 4V8 C23 H21 N5 O c1ccc(cc1)....
14 6GE0 ic50 = 2.1 nM EVQ C28 H30 Cl N5 O4 C[C@H](c1c....
15 6G9N ic50 = 3 nM ESN C29 H32 Cl N5 O4 Cc1cccc(c1....
16 2Z7L - S91 C20 H19 N5 O3 Cc1cccc(c1....
17 4ZXT - CAQ C6 H6 O2 c1ccc(c(c1....
18 1WZY ic50 = 0.56 uM F29 C21 H17 N7 C=CCn1c2c(....
19 6DMG - EK6 C27 H26 Cl2 F N5 O4 CCOC(=O)CN....
20 5NHH ic50 < 0.00113 uM 8XH C19 H25 N5 O3 COCCN1CCc2....
21 6G9H ic50 = 4 nM ERW C24 H30 Cl N5 O3 CC(C)(C)N(....
22 4N4S - 2H1 C25 H24 N6 O Cc1cc(cc2c....
23 4QP8 ic50 = 0.28 uM 362 C14 H10 N6 c1cc(cnc1)....
24 4QP4 - 36O C11 H15 N5 c1[nH]c2c(....
25 6G9D ic50 = 4.3 nM ER8 C23 H28 Cl N5 O3 CC(C)(C)NC....
26 6GJB ic50 = 0.008 uM F0H C35 H34 Cl F N6 O4 c1cc(c(cc1....
27 6G91 ic50 = 3200 nM EQW C9 H12 Cl N3 O c1c(cnc(n1....
28 6G8X - EQT C7 H6 Cl N3 c1cc2c(c(c....
29 6DCG ic50 = 7 nM G67 C37 H41 N9 O3 S CC(C)Oc1cc....
30 4QP9 ic50 = 0.071 uM 35X C17 H16 N6 CCCn1cc(cn....
31 5BVE ic50 = 0.01 nM 4VG C25 H28 Cl N5 O3 c1cc(cc(c1....
32 5KE0 - 6S9 C20 H18 N6 O Cc1cc(ccn1....
33 6CPW ic50 = 5.6 nM F8V C35 H35 F N8 O2 S CS[C@]1(CC....
34 4XOY - DX4 C5 H5 N5 S c1[nH]c2c(....
35 6G9K - ESK C27 H28 Cl N5 O4 c1ccc(cc1)....
36 3QYZ - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
37 5BVF ic50 = 0.19 nM 4VJ C25 H28 Cl N5 O3 c1cc(cc(c1....
38 6G9M ic50 = 7.9 nM ESW C28 H30 Cl N5 O3 CC(C)(c1cc....
39 4XOZ - 620 C15 H16 N6 O c1ccc(cc1)....
40 5HD7 - 38Z C33 H33 N9 O2 c1cnc(nc1)....
41 4XRJ - 620 C15 H16 N6 O c1ccc(cc1)....
42 2OJJ Ki = 0.002 uM 82A C22 H17 Cl2 F N4 O2 c1cc(cc(c1....
43 4QTA Kd = 0.013 uM 38Z C33 H33 N9 O2 c1cnc(nc1)....
44 5NHO ic50 < 0.0003 uM 8XN C20 H25 N7 O2 Cc1cnc(nc1....
45 2OJG Ki = 2.3 uM 19A C16 H16 N4 O CN(C)C(=O)....
46 4XP0 - 42A C8 H5 N3 c1cc2c(c[n....
47 4QP2 Kd = 940 uM 36R C7 H5 Cl N2 O c1cc2c(cc1....
48 5NHF ic50 = 0.0012 uM 8X5 C23 H25 N5 O2 c1ccc(cc1)....
49 5BUJ ic50 = 0.005 uM 4VB C16 H15 N5 O c1cnccc1c2....
50 6G9J ic50 = 4.1 nM ERK C27 H28 Cl N5 O3 C[C@H](c1c....
51 5BUI ic50 = 0.089 uM 4V9 C17 H15 F N4 c1ccnc(c1)....
52 4QP7 ic50 = 5.9 uM 363 C9 H7 N5 c1c[nH]c2c....
53 3ERK ic50 = 18 uM SB4 C18 H19 F N6 c1cc(ccc1c....
54 6GDQ - EVK C21 H22 Cl2 N4 O2 CC(C)Nc1cc....
55 5V60 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
56 1TVO Ki = 0.14 uM FRZ C18 H13 N7 c1ccc(cc1)....
57 6G9A ic50 = 21 nM ESQ C23 H28 Cl N5 O3 c1cc2c(cc1....
58 5BVD ic50 = 0.16 nM 4VF C24 H26 Cl N5 O3 c1cc(cc(c1....
59 4ZZN ic50 = 0.26 uM CQ8 C18 H21 Cl N4 O2 CNC(=O)c1c....
60 3SA0 - NRA C13 H8 O6 c1c(cc2c(c....
61 4ERK ic50 = 27 uM OLO C15 H18 N6 O Cn1cnc2c1n....
62 6GJD ic50 = 0.022 uM F0E C46 H55 N11 O5 c1cnc(nc1)....
63 5U6I - 81Y C19 H22 N4 O2 CC(C)Oc1cc....
64 5NHV ic50 = 0.0028 uM 8QB C16 H19 N5 O2 c1cnc(nc1c....
65 3I5Z Ki = 2 nM Z48 C24 H23 N5 O2 Cc1cnc(nc1....
66 4N0S - DHC C9 H8 O4 c1cc(c(cc1....
67 5NHP ic50 = 0.023 uM 8XK C19 H23 N7 O2 Cn1c(ccn1)....
68 3I60 Ki < 2 nM E86 C24 H22 Cl N5 O2 Cc1cnc(nc1....
69 4XP2 - TT4 C8 H9 N5 c1ccc(cc1)....
70 1PME Ki = 0.76 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
71 5NHL ic50 < 0.0003 uM 8XB C20 H25 N7 O2 Cc1cnc(nc1....
72 5HD4 - 38Z C33 H33 N9 O2 c1cnc(nc1)....
73 6G97 ic50 = 4.2 nM EQZ C20 H23 Cl N4 O3 COCCN1Cc2c....
74 6G92 ic50 = 76000 nM ERZ C10 H13 N5 Cc1cnc(nc1....
75 5K4I ic50 = 3.1 nM 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
76 4FA2 - SB0 C20 H21 F N4 O2 COc1nccc(n....
77 2GHM - LIC C24 H28 Cl N5 O3 C[C@@H](C(....
78 1W84 ic50 = 35 uM L12 C15 H14 N2 c1ccc2c(c1....
79 4EH5 - IRG C17 H16 N4 c1ccc(cc1)....
80 2BAK Kd = 37 nM AQZ C32 H37 N7 O4 Cc1ccc(cc1....
81 3HV6 ic50 = 5500 nM R39 C27 H35 N5 O3 Cc1ccc(cc1....
82 3HP2 - P36 C19 H16 Br N O2 c1ccc(cc1)....
83 1WBO ic50 = 1 mM 2CH C6 H5 Cl O c1ccc(c(c1....
84 4KIQ ic50 = 23 nM 1RA C23 H23 N3 O4 CCOC(=O)n1....
85 3GC7 ic50 = 0.4 nM B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
86 4EH6 - IRG C17 H16 N4 c1ccc(cc1)....
87 5MTX Kd = 17.7 nM FJI C34 H31 F N4 O5 c1ccc(cc1)....
88 2ZB0 Ki = 0.24 uM GK3 C24 H18 N4 O2 Cc1ccc(cc1....
89 2GTM ic50 = 542 nM LID C19 H15 Cl F2 N6 CCn1c2c(cn....
90 5N66 - B96 C31 H37 N5 O3 Cc1ccc(cc1....
91 2YIX Kd = 3.3 nM YIX C19 H23 N5 O S CCNC(=O)NC....
92 3OCG ic50 = 3 nM OCG C21 H18 N6 O3 Cc1ccc(cc1....
93 1BL7 - SB4 C18 H19 F N6 c1cc(ccc1c....
94 3P7C ic50 = 0.022 uM P7C C25 H33 Cl2 N5 O3 S CC(C)(C)c1....
95 5TBE Kd = 4.4 nM 78L C33 H30 F2 N4 O4 S c1cc(sc1)C....
96 4KIP ic50 = 7 nM 1R9 C21 H18 Cl N3 O2 S Cc1ccc(cc1....
97 2EWA - SB2 C21 H16 F N3 O S C[S@](=O)c....
98 2GHL - LIB C23 H26 Cl N5 O3 C[C@@H](C(....
99 1ZZ2 ic50 = 6 uM B11 C24 H26 F N3 O4 S c1ccc(c(c1....
100 3ZSI - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
101 2YIW - YIW C30 H33 N7 O S CC(C)c1nnc....
102 5WJJ ic50 = 5.4 nM AQY C25 H19 F N6 O2 Cc1cc(ccc1....
103 1A9U - SB2 C21 H16 F N3 O S C[S@](=O)c....
104 1M7Q ic50 = 2.6 nM DQO C24 H20 Cl2 F2 N4 O c1cc(c(c(c....
105 5MTY Kd = 1.3 nM HB9 C29 H23 F2 N3 O4 S c1cc(sc1)C....
106 4EH7 - IRG C17 H16 N4 c1ccc(cc1)....
107 1YQJ ic50 = 7.3 nM 6NP C30 H27 N5 c1ccc(cc1)....
108 4EH3 - NAR C15 H12 O5 c1cc(ccc1[....
109 4AA5 ic50 = 6.7 nM NQB C24 H27 N5 O2 Cc1ccc(cc1....
110 1OVE ic50 = 0.74 nM 358 C26 H22 Cl2 F2 N2 O c1cc(c(c(c....
111 3UVP ic50 = 0.035 uM 048 C24 H21 F N2 O2 c1ccc(cc1)....
112 5N67 - 8ON C28 H30 N6 O CC(=O)N1CC....
113 3NNV ic50 = 27 nM 437 C25 H26 N4 O2 CC(C)(C)c1....
114 3CTQ ic50 = 40 nM 337 C30 H34 N6 O5 S Cc1ccc(cc1....
115 3IW7 - IPK C26 H26 N4 O S c1ccc(cc1)....
116 3ITZ ic50 = 1.4 nM P66 C21 H15 Cl F2 N6 O c1cc(c(c(c....
117 2ZB1 Ki = 0.48 uM GK4 C21 H21 N3 O2 Cc1ccc(cc1....
118 3HV5 ic50 = 150 nM R24 C30 H29 N7 O3 Cc1ccc(cc1....
119 1WBW ic50 = 44 uM LI4 C16 H14 N2 O c1ccc2c(c1....
120 3P79 ic50 = 2.3 uM P79 C24 H29 N5 O4 S CC(C)(C)c1....
121 3HV7 ic50 = 90 nM 1AU C24 H25 N5 O CC(C)(C)c1....
122 3GFE ic50 = 3.2 nM P37 C24 H21 F2 N5 O2 Cc1ccc(cc1....
123 3ZYA - 2A8 C21 H18 N2 O c1ccc2c(c1....
124 2RG5 ic50 = 3.1 nM 279 C19 H22 N6 O3 CCNC(=O)c1....
125 3L8X ic50 = 10 nM N4D C20 H18 N6 O Cc1ccc(cc1....
126 3GCS Kd = 56 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
127 3ZS5 - SB2 C21 H16 F N3 O S C[S@](=O)c....
128 3D83 Ki = 4.4 nM GK6 C28 H30 N4 O3 Cc1ccc(cc1....
129 1YW2 ic50 = 141 nM PGJ C22 H18 F N3 O5 CCOC[N@]1C....
130 1W82 ic50 = 196 nM L10 C20 H21 Cl N4 O CC(C)(C)C1....
131 3ZSG - T75 C24 H21 N3 O S CCc1nc(c(s....
132 5TCO Kd = 3.14 nM 79Q C35 H33 F N4 O4 c1ccc(cc1)....
133 4EH8 - IRG C17 H16 N4 c1ccc(cc1)....
134 3GCP Kd = 15 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
135 3HLL Ki = 0.0058 uM I45 C22 H19 Br F2 N2 O3 Cc1ccc(cc1....
136 1ZZL ic50 = 5 nM TZY C18 H15 F N4 O CC(C)c1nnc....
137 2RG6 ic50 = 2.2 nM 287 C25 H26 N6 O3 Cc1ccc(cc1....
138 3MPT ic50 = 0.25 uM 1GK C18 H16 N2 O3 Cc1ccccc1C....
139 1BL6 - SB6 C18 H16 F N3 c1cc(ccc1c....
140 3NNW ic50 = 9 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
141 3GI3 Kd < 1.8 nM B10 C33 H39 N5 O5 S CC(C)(C)c1....
142 3K3J - I46 C14 H9 F2 N3 c1cc(ccc1c....
143 3HEC ic50 = 70 uM STI C29 H31 N7 O Cc1ccc(cc1....
144 1IAN - D13 C21 H16 I N3 O S C[S@@](=O)....
145 3FC1 - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
146 3MVM ic50 = 13 nM 39P C22 H23 N7 O3 CCCNC(=O)c....
147 3NNU ic50 = 48 nM EDB C22 H17 Cl2 N5 O2 S c1cc(cc(c1....
148 1W7H ic50 = 1 mM 3IP C12 H12 N2 O c1ccc(cc1)....
149 3U8W ic50 = 1 nM 09J C24 H21 Cl F N5 O2 CCN1C(=O)C....
150 1WBS ic50 = 0.63 uM LI2 C26 H25 F N4 O2 c1cc2c(cc1....
151 4E6C Kd ~ 15 uM 0O8 C25 H53 N O4 P CCCCCCCCCC....
152 5N68 - 8OK C26 H27 N5 O c1ccc(cc1)....
153 1WBV ic50 = 162 uM LI3 C19 H18 F N3 O2 c1cc2c(cc[....
154 4EH2 - IRG C17 H16 N4 c1ccc(cc1)....
155 3HA8 - 5JZ C36 H38 N8 O5 CCOc1nc(nc....
156 3HEG ic50 = 0.057 uM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
157 2ZAZ Ki = 0.4 uM GK1 C20 H15 N3 O2 S Cc1ccc(cc1....
158 3HP5 - I46 C14 H9 F2 N3 c1cc(ccc1c....
159 5ML5 ic50 = 10 nM 1VI C26 H25 F N4 O3 S COc1ccc(c(....
160 4DLI Kd = 2.4 uM IRG C17 H16 N4 c1ccc(cc1)....
161 3P78 ic50 = 0.11 uM P78 C24 H27 N3 O4 S2 CC(C)(C)c1....
162 4EH9 - IRG C17 H16 N4 c1ccc(cc1)....
163 1YWR ic50 = 32 nM LI9 C27 H29 F N6 O C[C@@H](c1....
164 3IW5 Kd = 0.839 uM DF3 C28 H24 F3 N3 O4 S c1ccc2c(c1....
165 3HV3 ic50 = 900 nM R49 C30 H31 N7 O Cc1cccc(c1....
166 4A9Y - RNY C32 H37 N7 O4 Cc1ccc(cc1....
167 3GCU - R48 C29 H30 N8 O Cc1ccc(cc1....
168 1OUY ic50 = 4.3 nM 094 C24 H18 Cl2 F2 N4 O S c1cc(c(c(c....
169 3D7Z Ki = 12 nM GK5 C22 H24 N2 O2 Cc1ccc(cc1....
170 2YIS - YIS C35 H34 Cl N7 O3 S2 CC(C)(C)c1....
171 1OUK ic50 = 0.13 nM 084 C28 H29 F3 N6 C[C@@H](c1....
172 3BV2 Ki = 0.44 nM P38 C33 H32 N8 O3 Cc1ccc(cc1....
173 4R3C - GG5 C14 H10 F N3 c1cc(ccc1c....
174 4L8M ic50 = 0.001 uM F46 C33 H30 F N3 O5 c1ccc(cc1)....
175 4E6A - 0O9 C32 H65 O10 P CCCCCCCCCC....
176 1WBN ic50 = 0.35 uM L09 C20 H22 Cl N5 O2 CC(C)(C)c1....
177 2QD9 ic50 = 13 nM LGF C27 H24 F2 N6 O5 COc1c(cc2c....
178 3HUC Kd = 1030 nM G97 C20 H16 N6 O C=CC(=O)Nc....
179 3HL7 Ki = 0.023 uM I47 C20 H20 Cl N5 O2 c1cc(ccc1c....
180 4EHV - IRG C17 H16 N4 c1ccc(cc1)....
181 2GTN ic50 = 4 nM LIE C20 H16 F3 N5 O CC(C)n1c2c....
182 3HRB ic50 = 21 nM I39 C19 H14 F2 N2 O2 Cc1ccccc1c....
183 3BX5 ic50 = 1.5 nM 304 C17 H22 N4 O2 S CC[C@@H](C....
184 3HVC ic50 = 600 nM GG5 C14 H10 F N3 c1cc(ccc1c....
185 2GFS ic50 = 0.7 uM PQB C19 H18 F N3 O4 c1cc(cc(c1....
186 5N63 - 8OW C21 H17 F N4 c1ccc(cc1)....
187 2NPQ Kd = 3.08 uM BOG C14 H28 O6 CCCCCCCCO[....
188 3IW6 Kd = 3.29 uM PP0 C23 H31 N3 O3 CCn1c(c(c(....
189 3S4Q ic50 = 4 nM NK0 C25 H23 N5 O2 Cc1ccc(cc1....
190 2BAJ Kd = 4 nM 1PP C20 H20 Cl2 N4 O CC(C)(C)c1....
191 3ROC - 29B C14 H10 F N3 c1cc(ccc1c....
192 3NWW ic50 = 7 nM 3NW C24 H34 N8 O S CCNC(=O)NC....
193 1W83 ic50 = 0.065 uM L11 C23 H25 Cl F N3 O3 c1cc(cnc1)....
194 3ZSH - 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
195 3IPH Ki = 0.0000251 mM G11 C21 H23 N3 O2 Cc1ccc(cc1....
196 5MZ3 ic50 = 0.00021 uM 8EN C24 H19 F3 N4 O2 Cc1ccc(cc1....
197 3P7B ic50 = 0.018 uM P7B C25 H28 N4 O3 S CC(C)(C)c1....
198 3GCQ Kd = 342 nM 1BU C29 H30 N8 O Cc1cccc(c1....
199 4F9Y Ki = 184 nM LM3 C21 H18 N4 CN(C)c1cc(....
200 2BAL Kd = 490 nM PQA C21 H21 F N4 O2 c1cc(cc(c1....
201 3HUB Kd = 8.2 nM 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
202 4F9W Ki = 114 nM LM4 C21 H18 N4 CN(C)c1cc(....
203 3P5K ic50 = 0.076 uM P5K C24 H27 N3 O4 S2 CC(C)(C)c1....
204 2I0H ic50 = 9 nM 222 C27 H19 Cl2 F N4 O3 c1ccc2c(c1....
205 1ZYJ ic50 = 1.5 uM BI5 C19 H16 N2 O2 c1ccc(cc1)....
206 3K3I - JZJ C18 H16 Br N3 c1ccc2c(c1....
207 1WBT ic50 = 0.34 uM WBT C26 H25 F N4 O2 c1cc(cc2c1....
208 1BMK - SB5 C17 H16 F N5 c1cc(ccc1c....
209 3E92 Ki = 10 nM G6A C21 H21 N3 O2 Cc1ccc(cc1....
210 3P7A ic50 = 0.52 uM P7A C23 H27 N3 O3 S2 CC(C)(C)c1....
211 6ANL ic50 = 240 nM T75 C24 H21 N3 O S CCc1nc(c(s....
212 3NNX ic50 = 11 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
213 4EH4 - IRG C17 H16 N4 c1ccc(cc1)....
214 1KV1 Kd = 1.16 uM BMU C15 H19 Cl N4 O CC(C)(C)c1....
215 3KF7 ic50 = 40 nM L9G C22 H18 F2 N4 O Cc1ccc(cc1....
216 4KIN ic50 = 4.8 nM 1M8 C22 H19 Cl N2 O2 S Cc1ccc(cc1....
217 4AA4 ic50 = 9 nM QC0 C25 H25 N5 O3 Cc1ccc(cc1....
218 5XYY ic50 = 9.221 uM P0F C15 H12 Cl F N4 O c1cc(cc(c1....
219 3E93 Ki = 1.4 nM 19B C30 H32 N4 O3 Cc1ccc(cc1....
220 4AAC ic50 = 16 nM AAV C24 H24 N6 O3 Cc1ccc(cc1....
221 4AA0 ic50 = 35 nM AA0 C30 H33 N7 O3 Cc1ccc(cc1....
222 1OZ1 ic50 = 6.5 nM FPH C18 H12 F N3 O c1cc2c(c(c....
223 5N64 - 8OH C19 H16 N4 S c1ccc(cc1)....
224 3IW8 Kd = 13.4 uM HIZ C19 H18 Cl F N4 O2 S c1ccc(cc1)....
225 3TTI ic50 = 0.006 uM KBI C21 H23 F3 N6 O2 c1c(cc(c(c....
226 3TTJ ic50 = 0.21 uM JBI C23 H23 F N6 O COc1ccc(cc....
227 1JNK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
228 3KVX ic50 = 0.148 uM FMY C26 H27 F N8 O2 c1cc(ccc1/....
229 4H39 Kd = 0.8 uM PRO LYS ARG PRO THR THR LEU ASN LEU PHE n/a n/a
230 4AWI ic50 = 1 uM AQ2 C21 H25 N3 O4 S2 CC(C)c1cc2....
231 2O0U ic50 = 3.2 uM C0M C27 H28 N4 O2 S c1ccc2c(c1....
232 2P33 ic50 = 57 nM J07 C20 H23 Cl N6 O CCNC(=O)N1....
233 2ZDU - 446 C28 H23 Br N2 O6 COC(=O)C1=....
234 2B1P ic50 = 3 nM AIZ C26 H26 Cl N5 O3 CN(C)CCCC(....
235 2OK1 Ki = 0.55 uM 33A C21 H17 Cl N4 O c1ccc(cc1)....
236 3OXI ic50 = 2.2 uM SYY C12 H11 N O3 S2 COC(=O)c1c....
237 3OY1 ic50 = 0.016 uM 589 C28 H31 N5 O2 c1ccc2cc(c....
238 6EMH ic50 = 833 nM BGE C19 H21 N5 O Cc1c([nH]c....
239 2ZDT - 46C C26 H20 Cl N O4 CCC(=O)C1=....
240 3ELJ - GS7 C22 H21 F N6 O4 S COc1cc(ccc....
241 3FI2 ic50 = 0.025 uM JK1 C26 H25 N5 O5 COc1cc(cc(....
242 4L7F ic50 = 160 nM 1V5 C26 H26 F N5 O2 c1cc(ccc1C....
243 6EQ9 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
244 2WAJ ic50 = 0.398 uM SNB C16 H13 Br Cl N O COc1cc2c(c....
245 4QTD ic50 = 1080 nM 38Z C33 H33 N9 O2 c1cnc(nc1)....
246 6EKD ic50 = 184 nM B9K C20 H23 N5 O S Cc1c([nH]c....
247 3G9L Ki = 0.74 uM J67 C25 H19 F N2 O4 c1ccc(cc1)....
248 4Y46 ic50 = 11 nM 4F2 C22 H32 N6 O2 CC(C)NC(=O....
249 1PMN ic50 = 7.1 nM 984 C25 H30 Cl2 N6 CCCn1c(c(n....
250 3FI3 ic50 = 12 nM JK2 C29 H25 F N4 O4 COc1cc(cc(....
251 2O2U ic50 = 4 uM 738 C16 H13 F N2 O S c1ccc(c(c1....
252 4W4V ic50 = 866 nM 3H8 C23 H19 Cl N6 O2 Cc1cc(ccn1....
253 3DA6 - BZ9 C28 H23 N7 O Cc1cc(c2cc....
254 2R9S ic50 = 0.15 uM 255 C24 H24 N4 O2 S CC(C)(C)NS....
255 4Y5H ic50 = 15 nM 519 C20 H30 N6 O2 CC(C)NC(=O....
256 4X21 Kd = 36 nM 3WH C20 H23 I N6 O CCNC(=O)N1....
257 3RTP ic50 = 7 nM 34I C18 H14 N6 O2 S c1ccc2c(c1....
258 3PZE - CFK C12 H11 N3 O2 S c1ccc(cc1)....
259 4Z9L ic50 = 1.6 nM 880 C27 H34 Cl2 N6 CCCn1c(c(n....
260 4WHZ ic50 < 1 nM 3NL C24 H23 Cl N8 O2 c1ccc(c(c1....
261 4W4Y ic50 = 3034 nM 3HQ C24 H22 N6 O2 Cc1ccc(cc1....
262 4W4W ic50 = 6630 nM 3HJ C23 H20 N6 O2 Cc1cc(ccn1....
263 3G90 Ki = 0.44 uM J72 C17 H12 F2 N2 O4 c1cc2c(cc1....
264 1PMV ic50 = 150 nM 537 C14 H8 N2 O c1ccc2c(c1....
265 3GC8 - B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
266 3GC9 - B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
267 2PVH Ki = 0.26 uM P19 C17 H14 N6 c1ccc(cc1)....
268 5BYZ ic50 = 0.042 uM 4WE C25 H32 F N7 O Cc1ncc(n1C....
269 4ZSJ ic50 = 2.3 uM 4R0 C13 H17 Cl N6 O Cc1cc(ccc1....
270 4ZSG - 4QX C12 H15 Cl N6 O CC(C)NC(=O....
271 2F9G - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
272 2B9F - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
273 5AWM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
274 4EYM - 0RX C21 H20 N4 O3 c1cc(ccc1N....
275 5EKO ic50 = 15785 nM N17 C22 H18 N4 O2 Cc1cn(cn1)....
276 4EYJ - N61 C20 H23 N5 O2 CC(C)(C)c1....
277 1CM8 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
278 4QTB Kd = 0.084 uM 38Z C33 H33 N9 O2 c1cnc(nc1)....
279 2ZOQ ic50 = 0.9 uM 5ID C11 H13 I N4 O4 c1c(c2c(nc....
280 3NPC - B96 C31 H37 N5 O3 Cc1ccc(cc1....
281 3E7O ic50 = 120 nM 35F C20 H14 N6 O2 c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ANP; Similar ligands found: 373
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 B4P 0.802632 0.945205
4 AP5 0.802632 0.945205
5 ADP 0.802632 0.972222
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 HEJ 0.772152 0.972222
9 ATP 0.772152 0.972222
10 AT4 0.769231 0.933333
11 AN2 0.769231 0.986111
12 5FA 0.7625 0.972222
13 AQP 0.7625 0.972222
14 M33 0.759494 0.932432
15 MAP 0.752941 0.972973
16 ACP 0.75 0.945946
17 AR6 0.740741 0.945205
18 APR 0.740741 0.945205
19 ACQ 0.73494 0.945946
20 AD9 0.731707 0.945946
21 SAP 0.731707 0.921053
22 AGS 0.731707 0.921053
23 A 0.723684 0.944444
24 AMP 0.723684 0.944444
25 ATF 0.717647 0.933333
26 ADX 0.716049 0.851852
27 CA0 0.716049 0.92
28 6YZ 0.709302 0.945946
29 50T 0.707317 0.932432
30 PRX 0.698795 0.87013
31 ABM 0.696203 0.893333
32 AP2 0.679012 0.933333
33 A12 0.679012 0.933333
34 APC 0.678571 0.933333
35 T99 0.674419 0.933333
36 TAT 0.674419 0.933333
37 A22 0.674157 0.958904
38 SRA 0.670886 0.894737
39 SRP 0.670455 0.883117
40 5AL 0.666667 0.906667
41 A1R 0.659341 0.884615
42 ADQ 0.659341 0.92
43 A3R 0.659341 0.884615
44 3OD 0.648936 0.92
45 BIS 0.648936 0.909091
46 5SV 0.648352 0.82716
47 9X8 0.645161 0.896104
48 OAD 0.645161 0.92
49 25L 0.642105 0.958904
50 AMO 0.641304 0.907895
51 G5P 0.636364 0.897436
52 DLL 0.634409 0.906667
53 AHX 0.634409 0.897436
54 00A 0.634409 0.860759
55 ADV 0.632184 0.907895
56 RBY 0.632184 0.907895
57 ADP PO3 0.632184 0.917808
58 NB8 0.631579 0.897436
59 25A 0.630435 0.945205
60 OOB 0.630435 0.906667
61 8QN 0.630435 0.906667
62 G3A 0.626263 0.897436
63 4AD 0.623656 0.896104
64 PAJ 0.623656 0.8625
65 LAD 0.621053 0.839506
66 TXA 0.614583 0.907895
67 1ZZ 0.614583 0.819277
68 ME8 0.614583 0.819277
69 GTA 0.613861 0.864198
70 9ZD 0.612903 0.909091
71 9ZA 0.612903 0.909091
72 3UK 0.610526 0.894737
73 SON 0.604651 0.907895
74 ADP ALF 0.604396 0.848101
75 ALF ADP 0.604396 0.848101
76 PR8 0.604167 0.829268
77 B5V 0.604167 0.883117
78 WAQ 0.604167 0.860759
79 4UV 0.6 0.871795
80 GAP 0.6 0.87013
81 PTJ 0.597938 0.873418
82 FYA 0.597938 0.881579
83 VO4 ADP 0.597826 0.906667
84 ADP VO4 0.597826 0.906667
85 LMS 0.597561 0.829268
86 UP5 0.596154 0.896104
87 FA5 0.59596 0.883117
88 YAP 0.59596 0.871795
89 PAP 0.595506 0.958333
90 A4P 0.59434 0.823529
91 XAH 0.59 0.841463
92 4UU 0.588235 0.871795
93 AFH 0.588235 0.8625
94 9SN 0.585859 0.85
95 2A5 0.58427 0.894737
96 T5A 0.583333 0.821429
97 DQV 0.582524 0.932432
98 NAI 0.580952 0.884615
99 B5M 0.58 0.871795
100 B5Y 0.58 0.871795
101 ITT 0.579545 0.917808
102 ATR 0.577778 0.944444
103 OMR 0.575472 0.831325
104 5AS 0.574713 0.781609
105 YLP 0.571429 0.8
106 48N 0.571429 0.873418
107 AP0 0.570093 0.873418
108 4TC 0.570093 0.873418
109 7D3 0.569767 0.881579
110 ADJ 0.568807 0.831325
111 GNP 0.568421 0.922078
112 9GM 0.568421 0.922078
113 DAL AMP 0.568421 0.881579
114 6V0 0.566038 0.873418
115 TXD 0.566038 0.884615
116 DND 0.566038 0.907895
117 NAX 0.566038 0.851852
118 4UW 0.566038 0.839506
119 NXX 0.566038 0.907895
120 XYA 0.565789 0.821918
121 RAB 0.565789 0.821918
122 ADN 0.565789 0.821918
123 AOC 0.564706 0.8
124 7D4 0.561798 0.881579
125 ADP BMA 0.561224 0.894737
126 TXE 0.560748 0.884615
127 TYM 0.560748 0.883117
128 GA7 0.557692 0.883117
129 YLC 0.555556 0.819277
130 YLB 0.555556 0.8
131 139 0.554545 0.851852
132 5N5 0.551282 0.797297
133 JB6 0.55 0.860759
134 LAQ 0.54717 0.819277
135 F2R 0.544643 0.843373
136 MYR AMP 0.544554 0.797619
137 5CD 0.544304 0.783784
138 A4D 0.544304 0.797297
139 80F 0.54386 0.821429
140 7MD 0.542857 0.864198
141 6AD 0.542553 0.886076
142 A2R 0.541667 0.958904
143 UPA 0.541284 0.884615
144 YLA 0.540541 0.8
145 A A 0.54 0.918919
146 BTX 0.539823 0.821429
147 COD 0.539823 0.793103
148 HFD 0.537634 0.921053
149 G5A 0.537634 0.781609
150 3DH 0.535714 0.753247
151 AYB 0.535714 0.790698
152 CNA 0.535714 0.907895
153 BT5 0.535088 0.811765
154 ATP A A A 0.533981 0.905405
155 IOT 0.531532 0.811765
156 MTA 0.53012 0.753247
157 3AM 0.529412 0.90411
158 A3P 0.52809 0.944444
159 PPS 0.526316 0.851852
160 NAD 0.526316 0.906667
161 EP4 0.52439 0.734177
162 7D5 0.52381 0.855263
163 AMP DBH 0.52381 0.87013
164 J7C 0.522727 0.75
165 A5A 0.520833 0.809524
166 EAD 0.520661 0.851852
167 TSB 0.520408 0.821429
168 AHZ 0.518519 0.797619
169 DTA 0.518072 0.766234
170 M2T 0.518072 0.716049
171 A3D 0.517241 0.894737
172 6RE 0.517241 0.740741
173 YLY 0.516949 0.790698
174 SSA 0.515464 0.802326
175 NA7 0.514852 0.933333
176 ARG AMP 0.514019 0.809524
177 AR6 AR6 0.514019 0.893333
178 7MC 0.513514 0.843373
179 A2P 0.511111 0.930556
180 52H 0.510204 0.781609
181 VMS 0.510204 0.790698
182 54H 0.510204 0.790698
183 TYR AMP 0.509434 0.848101
184 TAD 0.509259 0.8625
185 NAQ 0.508333 0.85
186 A3N 0.505618 0.766234
187 AV2 0.505155 0.893333
188 53H 0.50505 0.781609
189 5CA 0.50505 0.802326
190 8X1 0.50505 0.755556
191 ARU 0.504951 0.839506
192 ZID 0.504132 0.894737
193 P1H 0.504 0.831325
194 NAE 0.5 0.871795
195 3AT 0.5 0.945205
196 AVV 0.5 0.873418
197 P5A 0.495146 0.747253
198 NSS 0.49505 0.802326
199 LSS 0.49505 0.764045
200 DSZ 0.49505 0.802326
201 N0B 0.491803 0.8
202 AF3 ADP 3PG 0.491071 0.817073
203 NVA LMS 0.490196 0.755556
204 DAT 0.489362 0.881579
205 IMO 0.488889 0.90411
206 ZAS 0.488636 0.792208
207 FDA 0.488372 0.813953
208 NAJ PZO 0.487395 0.85
209 4TA 0.487179 0.788235
210 LPA AMP 0.486486 0.797619
211 LEU LMS 0.485437 0.755556
212 DTP 0.484536 0.881579
213 V3L 0.484536 0.945205
214 S4M 0.483516 0.651685
215 GJV 0.483516 0.731707
216 DZD 0.483051 0.8625
217 2AM 0.482759 0.917808
218 5AD 0.481013 0.726027
219 GSU 0.480769 0.781609
220 KAA 0.480769 0.755556
221 NDE 0.480315 0.907895
222 M24 0.479339 0.851852
223 MAO 0.478261 0.761905
224 NEC 0.477778 0.727273
225 DSH 0.477778 0.707317
226 FAS 0.477273 0.831325
227 FAD 0.477273 0.831325
228 RGT 0.476636 0.933333
229 9K8 0.47619 0.698925
230 G A A A 0.474576 0.85
231 0WD 0.474576 0.897436
232 FNK 0.474074 0.786517
233 5X8 0.473684 0.74359
234 6FA 0.473282 0.821429
235 NDC 0.472868 0.85
236 FB0 0.472868 0.786517
237 YSA 0.472222 0.781609
238 7DD 0.468085 0.958333
239 OVE 0.466667 0.881579
240 MHZ 0.463158 0.701149
241 8PZ 0.462963 0.802326
242 A G 0.462185 0.860759
243 AMP NAD 0.462185 0.881579
244 A3G 0.461538 0.779221
245 NAJ PYZ 0.459677 0.809524
246 6C6 0.459184 0.858974
247 SFG 0.458333 0.730769
248 U A G G 0.458333 0.860759
249 7D7 0.45679 0.723684
250 128 0.45614 0.8
251 SFD 0.455224 0.736842
252 6IA 0.454545 0.817073
253 DDS 0.454545 0.855263
254 GDP 0.454545 0.896104
255 ODP 0.453782 0.886076
256 NJP 0.453782 0.921053
257 7DT 0.453608 0.958333
258 A7D 0.452632 0.75641
259 Z5A 0.452381 0.802326
260 WSA 0.452174 0.790698
261 U A 0.45082 0.884615
262 7C5 0.45045 0.797468
263 FAY 0.449275 0.841463
264 NDP 0.449153 0.897436
265 SA8 0.44898 0.690476
266 A5D 0.44898 0.766234
267 71V 0.446809 0.884615
268 GGZ 0.446602 0.804878
269 RFL 0.446043 0.802326
270 2SA 0.445545 0.907895
271 SAI 0.444444 0.716049
272 GP3 0.444444 0.897436
273 SAH 0.444444 0.725
274 PO4 PO4 A A A A PO4 0.443396 0.878378
275 A A A 0.443396 0.881579
276 4YB 0.442478 0.764045
277 SMM 0.441176 0.670455
278 S7M 0.441176 0.674419
279 GTP 0.441176 0.896104
280 Y3J 0.440476 0.706667
281 SAM 0.44 0.674419
282 649 0.439655 0.747253
283 12D 0.438596 0.809524
284 A3S 0.4375 0.789474
285 NPW 0.436975 0.864198
286 GCP 0.436893 0.873418
287 AAT 0.435644 0.690476
288 GNH 0.435644 0.909091
289 EEM 0.435644 0.674419
290 ETB 0.435484 0.813953
291 DCA 0.435484 0.804598
292 N6P 0.433962 0.890411
293 NZQ 0.433333 0.886076
294 TXP 0.433333 0.897436
295 PGS 0.43299 0.860759
296 APU 0.432203 0.871795
297 PUA 0.432 0.8625
298 62F 0.431655 0.841463
299 F2N 0.431507 0.795455
300 DA 0.430108 0.855263
301 D5M 0.430108 0.855263
302 J7V 0.429688 0.813953
303 NIA 0.428571 0.848101
304 COA 0.428571 0.804598
305 6K6 0.428571 0.905405
306 A3T 0.428571 0.8
307 0T1 0.428571 0.804598
308 P5F 0.427586 0.804598
309 AAM 0.425532 0.944444
310 0UM 0.424528 0.682353
311 8Q2 0.423729 0.775281
312 G1R 0.423077 0.884615
313 AMZ 0.422222 0.891892
314 C2R 0.422222 0.88
315 A U 0.420168 0.848101
316 IDP 0.42 0.894737
317 GSP 0.419048 0.851852
318 30N 0.418605 0.736842
319 CAO 0.418605 0.777778
320 DG1 0.418605 0.897436
321 1DG 0.418605 0.897436
322 COS 0.418605 0.786517
323 AMX 0.418605 0.813953
324 TM1 0.418182 0.797619
325 A6D 0.416667 0.746988
326 K15 0.416667 0.666667
327 V1N 0.415929 0.893333
328 CMX 0.415385 0.804598
329 SCO 0.415385 0.804598
330 GEK 0.415094 0.719512
331 XNP 0.414634 0.851852
332 NHD 0.414634 0.881579
333 9JJ 0.413793 0.841463
334 AIR 0.413793 0.876712
335 COK 0.413534 0.786517
336 G2R 0.412844 0.8625
337 ACO 0.412214 0.777778
338 FAM 0.412214 0.786517
339 FCX 0.412214 0.777778
340 NAP 0.410853 0.92
341 FA9 0.409396 0.843373
342 SXZ 0.409091 0.694118
343 HAX 0.409091 0.806818
344 TAP 0.407692 0.884615
345 2MC 0.407407 0.752688
346 62X 0.407407 0.651685
347 GKE 0.40708 0.8625
348 GDC 0.40708 0.8625
349 GDD 0.40708 0.8625
350 3KK 0.406015 0.786517
351 FYN 0.406015 0.804598
352 NVA 2AD 0.405941 0.740741
353 NA0 0.40458 0.907895
354 101 0.404255 0.855263
355 G 0.40404 0.883117
356 5GP 0.40404 0.883117
357 HDV 0.403846 0.87013
358 MGP 0.403846 0.8625
359 OXK 0.402985 0.786517
360 MCD 0.402985 0.786517
361 CA6 0.402985 0.714286
362 SOP 0.402985 0.786517
363 3AD 0.402299 0.783784
364 S8M 0.401869 0.78481
365 YE1 0.40146 0.795455
366 NMX 0.4 0.782609
367 7RP 0.4 0.902778
368 2VA 0.4 0.779221
369 1VU 0.4 0.777778
370 CO6 0.4 0.786517
371 CMC 0.4 0.786517
372 6G0 0.4 0.8625
373 GMV 0.4 0.873418
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CM8; Ligand: ANP; Similar sites found with APoc: 407
This union binding pocket(no: 1) in the query (biounit: 1cm8.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4PU5 ANP 1.3624
2 2Z9I GLY ALA THR VAL 1.54321
3 4LH7 1X8 1.54799
4 3VPB ADP 1.77305
5 3VPC ADP 1.77305
6 5TDF ADP 1.90736
7 5OES ADP 1.90736
8 2X3J ATP 1.90736
9 3ORQ ADP 1.90736
10 3BOF HCS 1.90736
11 1M0W ANP 1.90736
12 3ETH ATP 1.97183
13 3X01 AMP 2.17984
14 2PUL ACP 2.17984
15 4PZ6 GMP 2.17984
16 2IF8 ADP 2.20386
17 1AUX AGS 2.2508
18 3W0O ADP 2.29226
19 3W0O HY0 2.29226
20 6E8I PTR 2.36686
21 1GPM AMP 2.45232
22 4UWH JXM 2.45232
23 3PN1 IVH 2.51572
24 4CC6 L5Y 2.51572
25 4C5N PXL 2.53623
26 4C5N ACP 2.53623
27 4ZS4 ATP 2.60586
28 5ZCT ANP 2.61438
29 2ZL7 FUC GAL NGA 2.71186
30 5MW8 ATP 2.7248
31 3UDZ ADP 2.7248
32 5I35 ANP 2.7248
33 3WO0 ALA 2.7248
34 3WO0 ADP 2.7248
35 4MV1 ADP 2.7248
36 3DNT ATP 2.7248
37 4CNG SAH 2.7451
38 2RIF AMP 2.83688
39 3PDT ADP 2.90909
40 1I7L ATP 2.91262
41 1JXZ BCA 2.97398
42 1NZY BCA 2.97398
43 2V58 LZJ 2.99728
44 2BMB PMM 2.99728
45 1N62 FAD 3.125
46 6DW2 HD4 3.13725
47 2QX0 PH2 3.14465
48 1MLD CIT 3.18471
49 4O4F ATP 3.22581
50 4O4F IHP 3.22581
51 5C1P ADP 3.26797
52 5C1P DAL DAL 3.26797
53 5OLK DTP 3.26975
54 3KAL ADP 3.26975
55 3AJM 4IP 3.28639
56 2GQR ADP 3.37553
57 3AKK ADP 3.38462
58 2Q7D ANP 3.46821
59 3TII ANP 3.54223
60 3VOT ADP 3.54223
61 6C1S EFV 3.54223
62 4R78 AMP 3.55987
63 5VKI THR NGA GAL NAG 3.75
64 3GU3 SAH 3.87324
65 1I06 TZL 3.88889
66 4V03 ADP 3.89105
67 1IOW ADP 3.92157
68 1IOW PHY 3.92157
69 1TZD ADP 4
70 1J6W MET 4
71 3WVR AMP 4.02685
72 5EQY 5RA 4.08719
73 2IO8 ADP 4.08719
74 3V4S ATP 4.08719
75 3V4S ADP 4.08719
76 5DMZ ADP 4.10959
77 1W2D 4IP 4.15094
78 1W2D ADP 4.15094
79 4N9I PCG 4.28571
80 4CZ1 VNJ 4.30622
81 4XZ3 ACP 4.34783
82 4XYM A12 4.34783
83 5YK1 ANP 4.35967
84 5VLQ ANP 4.35967
85 5USZ SKE 4.49827
86 3TM0 B31 4.56274
87 3TM0 ANP 4.56274
88 4OCV ANP 4.63215
89 5L2R MLA 4.63215
90 4U98 ACP 4.63215
91 5IM3 DTP 4.90463
92 1PK8 ATP 4.9763
93 5A89 FMN 5.12821
94 5A89 ADP 5.12821
95 4NZN ANP 5.15152
96 4NZN 2OU 5.15152
97 2CFM AMP 5.16934
98 2YW2 ATP 5.17711
99 1IA9 ANP 5.35714
100 3RE4 TO1 5.42636
101 1JG3 ADN 5.53191
102 4AZW ATP 5.72207
103 3TDV GDP 5.88235
104 4O1P ANP 5.99455
105 1KJ8 GAR 5.99455
106 1KJ8 ATP 5.99455
107 2R7K AMZ 6.09418
108 2R7K ACP 6.09418
109 6CGD GNP 6.22951
110 6CGD AKN 6.22951
111 4OAV ACP 6.26703
112 2VPQ ANP 6.26703
113 1T36 ADP 6.26703
114 4WW7 AMP 6.41711
115 4OCJ NDG 6.53951
116 2QK4 ATP 6.53951
117 2AQX ATP 6.57439
118 1E4E ADP 6.70554
119 1M26 GAL A2G 6.76692
120 2HGS ADP 6.81199
121 4RDL FUC GAL NDG FUC 6.81818
122 5LXT ACP 6.99301
123 4YHQ G10 7.07071
124 5AE9 OKO 7.08447
125 2PYW ADP 7.35695
126 5DZT AMP 7.35695
127 4GLW 0XT 7.54098
128 2BKK ADP 7.69231
129 1YFZ IMP 7.80488
130 3LQV ADE 7.82609
131 1OIJ AKG 8.30565
132 4DFU QUE 8.38509
133 1IHU ADP 8.44687
134 1IHU AF3 8.44687
135 2VQD AP2 8.71935
136 5C4L 4XR 8.72274
137 5C4L SIS 8.72274
138 3VPD ANP 9.25267
139 5M06 ADP 9.42029
140 1GSA ADP 9.49367
141 4N14 WR7 9.55414
142 1HFE CYS 9.7561
143 5O2D 9HH 10.5
144 6FL8 ADP 10.6267
145 6FL8 TIY 10.6267
146 3O5N BR0 10.7143
147 5C03 AGS 10.8187
148 6AC9 ANP 10.8992
149 4WOV 3SM 11.6719
150 3ANY 2A3 11.7871
151 4LRJ ANP 11.8343
152 5GZ9 ANP 12.1311
153 1ONI BEZ 12.3188
154 5K2M ADP 13.2075
155 1ZK4 AC0 13.5458
156 1ZK4 NAP 13.5458
157 3Q60 ATP 13.624
158 4RJD TFP 13.6364
159 3VHE 42Q 14.2061
160 4CS9 AMP 14.2857
161 6G34 5ID 15.4062
162 4OUC 5ID 15.4062
163 5VZ0 ADP 16.0763
164 4ZGP ADP 16.0763
165 5CKW ANP 16.3488
166 1K3A ACP 16.388
167 4CYI ATP 16.8937
168 1BHX ASP PHE GLU GLU ILE 17.0068
169 2PZI AXX 17.4387
170 4FL3 ANP 17.7112
171 5N49 8LW 17.7778
172 3NW7 LGV 19.2182
173 4XH0 ADP 19.6185
174 5WNL STU 20.7602
175 4G17 0VN 20.9091
176 6GZD LCI 21.5259
177 4DC2 ADE 22.0708
178 4X7Q 3YR 22.4359
179 5OKT 9XK 22.6115
180 4KBA 1QM 22.6586
181 5W4W 9WG 22.6586
182 5LI1 ANP 22.8814
183 5LI9 ACP 23.1429
184 4IX4 ADP 23.4286
185 3SRV S19 23.4657
186 2CSN CKI 23.569
187 4F4P 0SB 23.8095
188 5VC5 96M 23.8754
189 4I94 ANP 24
190 4BTK DTQ 24.0356
191 3C1X CKK 24.7956
192 4E93 GUI 25.0681
193 4CLI 5P8 25.3823
194 6BFN DL1 25.4386
195 2QLU ADE 25.4777
196 4Y0X ADP 25.8667
197 4Y93 746 26.158
198 4NFN 2KC 26.2136
199 3PP0 03Q 26.6272
200 4P5Z Q7M 26.8698
201 4Y8D 49J 27.0588
202 6GWR FEW 27.619
203 2F2U M77 28.0654
204 3V8S 0HD 28.0654
205 4PNI KQQ 28.0654
206 4L9I 8PR 28.0654
207 3E8N VRA 28.1525
208 3E8N ATP 28.1525
209 3H9R TAK 28.1818
210 5EOB 5QQ 28.5266
211 4UAL 3FV 28.6104
212 3FHR P4O 28.869
213 1OPK P16 28.8828
214 5JGA 6KC 28.8889
215 3TXO 07U 28.8952
216 4ASE AV9 28.8952
217 5HCY 60D 29.003
218 1XJD STU 29.2754
219 2OO8 RAJ 29.3375
220 4F9C 0SX 29.3629
221 5Y80 IRE 29.393
222 4OH4 ANP 29.4294
223 3KRL KRL 29.5522
224 5LPZ ADP 29.8193
225 6ES0 BW8 29.9685
226 3UIM ANP 30.0613
227 4WB7 ATP 30.2452
228 6C0T EE4 30.2594
229 3LXK MI1 30.2752
230 4N70 2HX 30.4878
231 5DBX ANP 30.4878
232 5VCV 1N1 30.5466
233 4FF8 14S 30.6502
234 3GQI ACP 30.6748
235 3PVW QRX 30.7902
236 5UKL SIX 30.7902
237 2R5T ANP 30.8311
238 2X2M X2M 30.8917
239 5QIN J2V 31.0127
240 3VRY B43 31.0627
241 5HVJ ANP 31.1111
242 4IDT T28 31.1798
243 5T8O 76Z 31.2321
244 4YZN 4K5 31.3589
245 2QCS ANP 31.4286
246 5U6C 7YS 31.4286
247 3IDB ANP 31.4286
248 3FHI ANP 31.4286
249 1RE8 BD2 31.4286
250 5MJA 7O3 31.4754
251 4Q5H ANP 31.5789
252 1VJY 460 31.6832
253 5NKB 8ZT 31.6993
254 3CY2 MB9 31.8471
255 4YMJ 4EJ 31.9079
256 4M69 ANP 31.9489
257 4WB6 ATP 32
258 5UR1 YY9 32.1543
259 5JKG 6LF 32.1543
260 6GIN IR2 32.2259
261 4OTH DRN 32.2581
262 4BHN BH9 32.3353
263 5UIU 8CG 32.5077
264 4UXL 5P8 32.6087
265 2PVF ACP 32.6347
266 2GU8 796 32.6409
267 4E1Z 0MX 32.646
268 1Y57 MPZ 32.6975
269 1U59 STU 32.7526
270 5LPB ADP 32.7703
271 4AT3 LTI 32.7759
272 4EUU BX7 32.9154
273 4EWH T77 33.0909
274 5AX9 4KT 33.1169
275 2WQN ADP 33.2258
276 3RI1 3RH 33.2268
277 4AG8 AXI 33.2278
278 2H8H H8H 33.2425
279 5TO8 7FM 33.3333
280 4U0I 0LI 33.6508
281 3DLS ADP 33.7313
282 3GGF GVD 33.887
283 6CMJ F6J 33.9564
284 2XVD AS6 34.106
285 6BXI ANP 34.2342
286 3LXN MI1 34.2767
287 5CEO 50D 34.3333
288 6CQF F97 34.3434
289 6A1G 9OL 34.7222
290 4C2V YJA 34.7368
291 3BZ3 YAM 34.7826
292 5FBN 5WF 35.0554
293 4K33 ACP 35.0769
294 6GQM F8H 35.3659
295 3SXS PP2 35.4478
296 4C2W