Receptor
PDB id Resolution Class Description Source Keywords
5RC1 1.05 Å EC: 3.4.23.22 PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN CHANGED S FOR FRAGMENT F2X-ENTRY LIBRARY E07A CRYPHONECTRIA PARASITICA FRAGMAX FRAGMAXAPP FRAGMENT SCREENING HYDROLASE INHIBITIENTRY
Ref.: F2X-UNIVERSAL AND F2X-ENTRY: STRUCTURALLY DIVERSE C LIBRARIES FOR CRYSTALLOGRAPHIC FRAGMENT SCREENING. STRUCTURE V. 28 694 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PG4 A:407;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
NA A:408;
Invalid;
none;
submit data
22.99 Na [Na+]
GOL A:404;
A:403;
A:405;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
DMS A:402;
Invalid;
none;
submit data
78.133 C2 H6 O S CS(=O...
ACT A:406;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
R9Y A:401;
Valid;
Atoms found MORE than expected: % Diff = 2;
submit data
176.258 C11 H16 N2 CN1CC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5HCT 1.36 Å EC: 3.4.23.22 ENDOTHIAPEPSIN IN COMPLEX WITH BIACYLHYDRAZONE CRYPHONECTRIA PARASITICA HYDROLASE INHIBITION
Ref.: FRAGMENT LINKING AND OPTIMIZATION OF INHIBITORS OF ASPARTIC PROTEASE ENDOTHIAPEPSIN: FRAGMENT-BASED DR FACILITATED BY DYNAMIC COMBINATORIAL CHEMISTRY. ANGEW.CHEM.INT.ED.ENGL. V. 55 9422 2016
Members (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5RBV - RQD C10 H12 F N O2 COC(=O)[C@....
2 5RCG - REG C11 H20 N2 O2 C1CCC(C1)N....
3 5R1U - T9G C9 H13 N O CC[C@H](c1....
4 5RC3 - RAY C11 H14 F N O3 COCCOCC(=O....
5 5R21 - R9Y C11 H16 N2 CN1CCCc2c1....
6 5RCE - RE4 C11 H13 N5 Cc1cc(nc(n....
7 5RBS - R8V C9 H9 N O2 CN1[C@H](c....
8 5RBU - R97 C10 H10 N2 S Cc1csc(n1)....
9 5R2C - RE4 C11 H13 N5 Cc1cc(nc(n....
10 5R20 - R9V C14 H19 N O c1ccc(cc1)....
11 5RCC - RDV C12 H22 N2 O C1CCC(C1)C....
12 5RC4 - RB7 C11 H16 Br N O2 S Cc1cc(ccc1....
13 5R25 - RBJ C8 H11 N O CNCc1ccc(c....
14 5HCT Ki = 0.0254 uM 61P C30 H30 N8 O2 c1ccc2c(c1....
15 5R1W - R8Y C10 H13 N O3 S CCN(CCC(=O....
16 5R23 - RAY C11 H14 F N O3 COCCOCC(=O....
17 5RC5 - RBG C10 H20 N2 O CC(C)(C)NC....
18 5RCB - RDM C12 H15 N O3 CC(=O)N[C@....
19 5RC6 - RBJ C8 H11 N O CNCc1ccc(c....
20 5RBQ - R8P C8 H9 N O3 C[C@@H](c1....
21 5R1V - R8S C5 H8 N4 O COc1ccnc(n....
22 5R1Z - R9M C6 H7 N O2 S c1csc(n1)C....
23 5R2B - RDY C12 H15 N O4 C[C@@H](C(....
24 5RC7 - AES C8 H10 F N O2 S c1cc(ccc1C....
25 5RBO - R8A C6 H8 N2 O c1cc(c(nc1....
26 5R26 - RCV C10 H13 N O3 COC(=O)COc....
27 5R1Y - R9J C11 H15 N O2 Cc1ccc(cc1....
28 5RBZ - R9S C9 H11 N O Cc1ccccc1C....
29 5R1X - RQD C10 H12 F N O2 COC(=O)[C@....
30 5RC8 - RCV C10 H13 N O3 COC(=O)COc....
31 5RC9 - RD4 C9 H12 N2 O [H]/N=C(c1....
32 5RBY - R9M C6 H7 N O2 S c1csc(n1)C....
33 5RCF - RE7 C13 H16 F N3 C[C@H](c1c....
34 5R24 - RB7 C11 H16 Br N O2 S Cc1cc(ccc1....
35 5R28 - RDJ C9 H15 N3 O2 S CCNC(=O)CS....
36 5RBT - RA7 C8 H12 N2 O2 S c1c(sc(n1)....
37 5RCD - RDY C12 H15 N O4 C[C@@H](C(....
38 5RBR - R8S C5 H8 N4 O COc1ccnc(n....
39 5R2D - REG C11 H20 N2 O2 C1CCC(C1)N....
40 5RC0 - R9V C14 H19 N O c1ccc(cc1)....
41 5R29 - RDM C12 H15 N O3 CC(=O)N[C@....
42 5R1T - R8A C6 H8 N2 O c1cc(c(nc1....
43 5R2A - RDV C12 H22 N2 O C1CCC(C1)C....
44 5R27 - RD4 C9 H12 N2 O [H]/N=C(c1....
45 5RBX - R9J C11 H15 N O2 Cc1ccc(cc1....
46 5RC1 - R9Y C11 H16 N2 CN1CCCc2c1....
47 5RCA - RDJ C9 H15 N3 O2 S CCNC(=O)CS....
48 5R22 - RA7 C8 H12 N2 O2 S c1c(sc(n1)....
49 5RC2 - R8Y C10 H13 N O3 S CCN(CCC(=O....
50 5RBW - R9G C12 H15 N O2 COc1cccc(c....
51 5RBP - SYG C9 H13 N O CC[C@@H](c....
70% Homology Family (141)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1E81 - M91 C34 H49 N5 O6 S CSC[C@@H](....
2 4ZEA - IMI C10 H17 N3 O2 S C1[C@H]2[C....
3 3ER3 Ki = 81 nM 0EL C51 H78 N8 O9 NULL
4 4Y4D - CFF C8 H10 N4 O2 Cn1cnc2c1C....
5 5LWT - 7B3 C10 H13 N3 O Cc1c2cnnc(....
6 1EPM - THR PHE GLN ALA PSA LEU ARG GLU n/a n/a
7 1EED Ki = 16.2 uM 0EO C34 H55 N3 O8 CC(C)C[C@@....
8 3PMY - 41L C15 H13 N3 O c1ccc(cc1)....
9 1OEX - BOC HIS PRO PHE ALA LOV ILE HIS n/a n/a
10 4ER4 Ki = 160 nM PRO HIS PRO PHE HIS LAV ILE HIS LYS n/a n/a
11 4LBT Ki = 6 uM 1TZ C21 H24 N4 O Cc1cc(c(c(....
12 3PWW - ROC C38 H50 N6 O5 CC(C)(C)NC....
13 4Y38 Kd = 4 mM 0A9 C10 H13 N O2 COC(=O)[C@....
14 2JJJ - 0QS C36 H56 F2 N7 O8 S CC(C)(C)S(....
15 1GVV - 0GM C51 H61 N5 O6 CC(C)C[C@H....
16 3PMU - F7L C14 H20 F N O2 c1ccc(c(c1....
17 5OJE Ki = 6.1 uM VSK C22 H27 N3 O Cc1cc(c(c(....
18 1GVT - 2ZS C31 H48 N4 O7 S CC(C)OC(=O....
19 1EPR - 0QS C36 H56 F2 N7 O8 S CC(C)(C)S(....
20 5MB5 - 46P C8 H10 N4 S Cc1c(sc(n1....
21 5MB7 - 4AV C8 H9 Cl N2 O2 CNCc1cc(cc....
22 4Y4G - GGB C5 H12 N4 O3 [H]/N=C(N)....
23 3ER5 Ki = 1 nM PRO HIS PRO PHE HIS STA VAL ILE HIS LYS n/a n/a
24 3URL - HIS SER LEU PHE HIS PUK THR PRO n/a n/a
25 3PCZ - BAM C7 H9 N2 c1ccc(cc1)....
26 2V00 Kd = 0.22 mM V15 C12 H13 N3 O c1ccc(cc1)....
27 5LWR - 7B2 C27 H29 Cl N9 O Cc1c2cnn3c....
28 3PLL - F06 C8 H9 Cl N2 S [H]/N=C(N)....
29 4ER2 Ki = 0.5 nM IVA VAL VAL STA ALA STA n/a n/a
30 4LP9 ic50 = 0.62 uM SER LEU PHE HIS 22G THR PRO n/a n/a
31 3PRS - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
32 1ENT Ki = 110 nM 0EM C32 H52 N6 O7 P NULL
33 1E80 - 0GQ C41 H64 N10 O6 CC[C@H](C)....
34 5LWS - 7B2 C27 H29 Cl N9 O Cc1c2cnn3c....
35 3PBD - F05 C8 H8 N2 c1ccc2c(c1....
36 1OD1 - 0QS C36 H56 F2 N7 O8 S CC(C)(C)S(....
37 3WZ6 Ki = 1.1 uM IXZ C27 H25 N3 O2 S c1ccc(cc1)....
38 5ER1 Ki = 960 nM 0HT C28 H48 N4 O5 CC[C@H](C)....
39 1OEW - SER THR n/a n/a
40 1EPQ Ki = 6.5 nM 0QF C31 H52 N4 O7 S2 CCS[C@@H](....
41 5MB3 - 5GL C13 H20 N2 O S CCCN1C2=C(....
42 2JJI - 0QS C36 H56 F2 N7 O8 S CC(C)(C)S(....
43 3PCW - FBF C8 H7 F3 N2 [H]/N=C(/c....
44 3PGI - F41 C14 H18 N2 O3 c1cc2c(cc1....
45 4Y3J Kd = 6.8 mM HIC C7 H11 N3 O2 Cn1cc(nc1)....
46 1GVW Ki = 110 nM 0EM C32 H52 N6 O7 P NULL
47 5ER2 Ki = 0.27 uM 0EK C50 H77 N9 O9 NULL
48 1EPP Ki = 69 nM 1Z1 C32 H57 N7 O6 S2 CC[C@H](C)....
49 2ER7 ic50 = 0.7 nM BOC HIS PRO PHE HIS LOV ILE HIS n/a n/a
50 4KUP Ki = 6 uM 1TZ C21 H24 N4 O Cc1cc(c(c(....
51 3WZ7 Ki = 1.8 uM IXY C28 H30 N4 O2 S c1ccc(cc1)....
52 1EPO Ki = 11 nM 2Z3 C32 H49 F2 N5 O7 NULL
53 1ER8 - DHI PRO PHE HIS LEU LEU VAL TYR n/a n/a
54 3WZ8 Ki = 1.5 uM IXV C27 H25 N3 O2 S c1ccc(cc1)....
55 3PI0 - F91 C14 H14 N2 O2 c1cc2c(cc1....
56 1GVU Ki = 1 nM PRO HIS PRO PHE HIS STA VAL ILE HIS LYS n/a n/a
57 1EPL - PRO LEU GLU PSA ARG LEU n/a n/a
58 4Y3Y Kd = 4.5 mM DCL C6 H15 N O CC(C)C[C@@....
59 1E5O - 3AI C23 H38 N4 O4 S CC[C@H](C)....
60 3PLD - F90 C8 H9 Cl N2 S [H]/N=C(N)....
61 5MB0 Kd = 1.4 mM F91 C14 H14 N2 O2 c1cc2c(cc1....
62 2ER6 Ki = 60 nM PRO THR GLU PUK ARG GLU n/a n/a
63 3URI - HIS PRO HIS LEU SER 13E ALA HIS n/a n/a
64 4LHH Ki = 6 uM 1TZ C21 H24 N4 O Cc1cc(c(c(....
65 4Y48 - GLY PRO n/a n/a
66 1E82 - M90 C34 H49 N5 O6 S CSC[C@@H](....
67 1EPN - 2ZS C31 H48 N4 O7 S CC(C)OC(=O....
68 2ER9 Ki = 40 nM BOC HIS PRO PHE HIS STA LEU PHE n/a n/a
69 4Y4J Kd = 3.4 mM LNR C8 H11 N O3 c1cc(c(cc1....
70 1GVX Ki = 60 nM PRO THR GLU PUK ARG GLU n/a n/a
71 3PM4 - F5N C15 H13 N3 O c1ccc(cc1)....
72 3PB5 - F63 C11 H12 N2 O2 CNCc1ccc(o....
73 4ZE6 Kd = 3.3 mM 011 C7 H15 N O2 C(CCCN)CCC....
74 3PBZ - F02 C11 H17 N3 O CCN(CC)c1c....
75 4ER1 Ki = 0.24 uM 0ZP C51 H68 N5 O4 CC[C@H](C)....
76 5RBV - RQD C10 H12 F N O2 COC(=O)[C@....
77 5RCG - REG C11 H20 N2 O2 C1CCC(C1)N....
78 5R1U - T9G C9 H13 N O CC[C@H](c1....
79 5RC3 - RAY C11 H14 F N O3 COCCOCC(=O....
80 5R21 - R9Y C11 H16 N2 CN1CCCc2c1....
81 5RCE - RE4 C11 H13 N5 Cc1cc(nc(n....
82 5RBS - R8V C9 H9 N O2 CN1[C@H](c....
83 5RBU - R97 C10 H10 N2 S Cc1csc(n1)....
84 5R2C - RE4 C11 H13 N5 Cc1cc(nc(n....
85 5R20 - R9V C14 H19 N O c1ccc(cc1)....
86 5RCC - RDV C12 H22 N2 O C1CCC(C1)C....
87 5RC4 - RB7 C11 H16 Br N O2 S Cc1cc(ccc1....
88 5R25 - RBJ C8 H11 N O CNCc1ccc(c....
89 5HCT Ki = 0.0254 uM 61P C30 H30 N8 O2 c1ccc2c(c1....
90 5R1W - R8Y C10 H13 N O3 S CCN(CCC(=O....
91 5R23 - RAY C11 H14 F N O3 COCCOCC(=O....
92 5RC5 - RBG C10 H20 N2 O CC(C)(C)NC....
93 5RCB - RDM C12 H15 N O3 CC(=O)N[C@....
94 5RC6 - RBJ C8 H11 N O CNCc1ccc(c....
95 5RBQ - R8P C8 H9 N O3 C[C@@H](c1....
96 5R1V - R8S C5 H8 N4 O COc1ccnc(n....
97 5R1Z - R9M C6 H7 N O2 S c1csc(n1)C....
98 5R2B - RDY C12 H15 N O4 C[C@@H](C(....
99 5RC7 - AES C8 H10 F N O2 S c1cc(ccc1C....
100 5RBO - R8A C6 H8 N2 O c1cc(c(nc1....
101 5R26 - RCV C10 H13 N O3 COC(=O)COc....
102 5R1Y - R9J C11 H15 N O2 Cc1ccc(cc1....
103 5RBZ - R9S C9 H11 N O Cc1ccccc1C....
104 5R1X - RQD C10 H12 F N O2 COC(=O)[C@....
105 5RC8 - RCV C10 H13 N O3 COC(=O)COc....
106 5RC9 - RD4 C9 H12 N2 O [H]/N=C(c1....
107 5RBY - R9M C6 H7 N O2 S c1csc(n1)C....
108 5RCF - RE7 C13 H16 F N3 C[C@H](c1c....
109 5R24 - RB7 C11 H16 Br N O2 S Cc1cc(ccc1....
110 5R28 - RDJ C9 H15 N3 O2 S CCNC(=O)CS....
111 5RBT - RA7 C8 H12 N2 O2 S c1c(sc(n1)....
112 5RCD - RDY C12 H15 N O4 C[C@@H](C(....
113 5RBR - R8S C5 H8 N4 O COc1ccnc(n....
114 5R2D - REG C11 H20 N2 O2 C1CCC(C1)N....
115 5RC0 - R9V C14 H19 N O c1ccc(cc1)....
116 5R29 - RDM C12 H15 N O3 CC(=O)N[C@....
117 5R1T - R8A C6 H8 N2 O c1cc(c(nc1....
118 5R2A - RDV C12 H22 N2 O C1CCC(C1)C....
119 5R27 - RD4 C9 H12 N2 O [H]/N=C(c1....
120 5RBX - R9J C11 H15 N O2 Cc1ccc(cc1....
121 5RC1 - R9Y C11 H16 N2 CN1CCCc2c1....
122 5RCA - RDJ C9 H15 N3 O2 S CCNC(=O)CS....
123 5R22 - RA7 C8 H12 N2 O2 S c1c(sc(n1)....
124 5RC2 - R8Y C10 H13 N O3 S CCN(CCC(=O....
125 5RBW - R9G C12 H15 N O2 COc1cccc(c....
126 5RBP - SYG C9 H13 N O CC[C@@H](c....
127 1PPM Ki = 1600 nM 0P1 C29 H40 N3 O9 P C[C@@H](C(....
128 2WED Ki = 0.8 uM PP6 C29 H32 N2 O7 P CC(C)[C@H]....
129 1APU Ki = 1.6 nM IVA VAL VAL 32L n/a n/a
130 2WEC Ki = 110 uM PP5 C28 H32 N2 O7 P CC(C)[C@@H....
131 1APW Ki = 10 nM IVA VAL VAL DFI NME n/a n/a
132 1PPL Ki = 2.8 nM 1Z7 C30 H50 N3 O8 P CC(C)C[C@H....
133 2WEB Ki = 7.6 uM PP4 C28 H32 N2 O7 P CC(C)[C@@H....
134 2WEA - PP6 C29 H32 N2 O7 P CC(C)[C@H]....
135 1BXO Ki = 0.1 nM PP7 C30 H47 N4 O9 P CC(C)C[C@@....
136 1APT - IVA VAL VAL LTA n/a n/a
137 1PPK Ki = 22 nM IVV C24 H46 N3 O7 P CCOC(=O)C[....
138 1BXQ Ki = 42 nM PP8 C29 H47 N4 O9 P CC(C)C[C@H....
139 1APV Ki = 1 nM IVA VAL VAL DFO NME n/a n/a
140 1IZE - IVA VAL VAL STA ALA STA n/a n/a
141 3EMY - IVA VAL VAL STA ALA STA n/a n/a
50% Homology Family (209)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1E81 - M91 C34 H49 N5 O6 S CSC[C@@H](....
2 4ZEA - IMI C10 H17 N3 O2 S C1[C@H]2[C....
3 3ER3 Ki = 81 nM 0EL C51 H78 N8 O9 NULL
4 4Y4D - CFF C8 H10 N4 O2 Cn1cnc2c1C....
5 5LWT - 7B3 C10 H13 N3 O Cc1c2cnnc(....
6 1EPM - THR PHE GLN ALA PSA LEU ARG GLU n/a n/a
7 1EED Ki = 16.2 uM 0EO C34 H55 N3 O8 CC(C)C[C@@....
8 3PMY - 41L C15 H13 N3 O c1ccc(cc1)....
9 1OEX - BOC HIS PRO PHE ALA LOV ILE HIS n/a n/a
10 4ER4 Ki = 160 nM PRO HIS PRO PHE HIS LAV ILE HIS LYS n/a n/a
11 4LBT Ki = 6 uM 1TZ C21 H24 N4 O Cc1cc(c(c(....
12 3PWW - ROC C38 H50 N6 O5 CC(C)(C)NC....
13 4Y38 Kd = 4 mM 0A9 C10 H13 N O2 COC(=O)[C@....
14 2JJJ - 0QS C36 H56 F2 N7 O8 S CC(C)(C)S(....
15 1GVV - 0GM C51 H61 N5 O6 CC(C)C[C@H....
16 3PMU - F7L C14 H20 F N O2 c1ccc(c(c1....
17 5OJE Ki = 6.1 uM VSK C22 H27 N3 O Cc1cc(c(c(....
18 1GVT - 2ZS C31 H48 N4 O7 S CC(C)OC(=O....
19 1EPR - 0QS C36 H56 F2 N7 O8 S CC(C)(C)S(....
20 5MB5 - 46P C8 H10 N4 S Cc1c(sc(n1....
21 5MB7 - 4AV C8 H9 Cl N2 O2 CNCc1cc(cc....
22 4Y4G - GGB C5 H12 N4 O3 [H]/N=C(N)....
23 3ER5 Ki = 1 nM PRO HIS PRO PHE HIS STA VAL ILE HIS LYS n/a n/a
24 3URL - HIS SER LEU PHE HIS PUK THR PRO n/a n/a
25 3PCZ - BAM C7 H9 N2 c1ccc(cc1)....
26 2V00 Kd = 0.22 mM V15 C12 H13 N3 O c1ccc(cc1)....
27 5LWR - 7B2 C27 H29 Cl N9 O Cc1c2cnn3c....
28 3PLL - F06 C8 H9 Cl N2 S [H]/N=C(N)....
29 4ER2 Ki = 0.5 nM IVA VAL VAL STA ALA STA n/a n/a
30 4LP9 ic50 = 0.62 uM SER LEU PHE HIS 22G THR PRO n/a n/a
31 3PRS - RIT C37 H48 N6 O5 S2 CC(C)c1nc(....
32 1ENT Ki = 110 nM 0EM C32 H52 N6 O7 P NULL
33 1E80 - 0GQ C41 H64 N10 O6 CC[C@H](C)....
34 5LWS - 7B2 C27 H29 Cl N9 O Cc1c2cnn3c....
35 3PBD - F05 C8 H8 N2 c1ccc2c(c1....
36 1OD1 - 0QS C36 H56 F2 N7 O8 S CC(C)(C)S(....
37 3WZ6 Ki = 1.1 uM IXZ C27 H25 N3 O2 S c1ccc(cc1)....
38 5ER1 Ki = 960 nM 0HT C28 H48 N4 O5 CC[C@H](C)....
39 1OEW - SER THR n/a n/a
40 1EPQ Ki = 6.5 nM 0QF C31 H52 N4 O7 S2 CCS[C@@H](....
41 5MB3 - 5GL C13 H20 N2 O S CCCN1C2=C(....
42 2JJI - 0QS C36 H56 F2 N7 O8 S CC(C)(C)S(....
43 3PCW - FBF C8 H7 F3 N2 [H]/N=C(/c....
44 3PGI - F41 C14 H18 N2 O3 c1cc2c(cc1....
45 4Y3J Kd = 6.8 mM HIC C7 H11 N3 O2 Cn1cc(nc1)....
46 1GVW Ki = 110 nM 0EM C32 H52 N6 O7 P NULL
47 5ER2 Ki = 0.27 uM 0EK C50 H77 N9 O9 NULL
48 1EPP Ki = 69 nM 1Z1 C32 H57 N7 O6 S2 CC[C@H](C)....
49 2ER7 ic50 = 0.7 nM BOC HIS PRO PHE HIS LOV ILE HIS n/a n/a
50 4KUP Ki = 6 uM 1TZ C21 H24 N4 O Cc1cc(c(c(....
51 3WZ7 Ki = 1.8 uM IXY C28 H30 N4 O2 S c1ccc(cc1)....
52 1EPO Ki = 11 nM 2Z3 C32 H49 F2 N5 O7 NULL
53 1ER8 - DHI PRO PHE HIS LEU LEU VAL TYR n/a n/a
54 3WZ8 Ki = 1.5 uM IXV C27 H25 N3 O2 S c1ccc(cc1)....
55 3PI0 - F91 C14 H14 N2 O2 c1cc2c(cc1....
56 1GVU Ki = 1 nM PRO HIS PRO PHE HIS STA VAL ILE HIS LYS n/a n/a
57 1EPL - PRO LEU GLU PSA ARG LEU n/a n/a
58 4Y3Y Kd = 4.5 mM DCL C6 H15 N O CC(C)C[C@@....
59 1E5O - 3AI C23 H38 N4 O4 S CC[C@H](C)....
60 3PLD - F90 C8 H9 Cl N2 S [H]/N=C(N)....
61 5MB0 Kd = 1.4 mM F91 C14 H14 N2 O2 c1cc2c(cc1....
62 2ER6 Ki = 60 nM PRO THR GLU PUK ARG GLU n/a n/a
63 3URI - HIS PRO HIS LEU SER 13E ALA HIS n/a n/a
64 4LHH Ki = 6 uM 1TZ C21 H24 N4 O Cc1cc(c(c(....
65 4Y48 - GLY PRO n/a n/a
66 1E82 - M90 C34 H49 N5 O6 S CSC[C@@H](....
67 1EPN - 2ZS C31 H48 N4 O7 S CC(C)OC(=O....
68 2ER9 Ki = 40 nM BOC HIS PRO PHE HIS STA LEU PHE n/a n/a
69 4Y4J Kd = 3.4 mM LNR C8 H11 N O3 c1cc(c(cc1....
70 1GVX Ki = 60 nM PRO THR GLU PUK ARG GLU n/a n/a
71 3PM4 - F5N C15 H13 N3 O c1ccc(cc1)....
72 3PB5 - F63 C11 H12 N2 O2 CNCc1ccc(o....
73 4ZE6 Kd = 3.3 mM 011 C7 H15 N O2 C(CCCN)CCC....
74 3PBZ - F02 C11 H17 N3 O CCN(CC)c1c....
75 4ER1 Ki = 0.24 uM 0ZP C51 H68 N5 O4 CC[C@H](C)....
76 3OWN Ki = 34 nM 3OX C37 H48 N4 O7 S CC(C)CNC(=....
77 2G21 - L1B C19 H24 N5 O CCc1c(c(nc....
78 4RYC ic50 = 0.08 uM 3ZK C27 H39 N3 O6 S Cc1ccc(cc1....
79 3D91 Kd = 131 pM REM C33 H50 N4 O6 S CC(C)(C)S(....
80 1BIL ic50 = 0.5 nM 0IU C34 H53 N5 O5 S NULL
81 3KM4 ic50 = 1.3 nM 22X C28 H45 Cl N4 O3 CC(=O)NCCC....
82 2G24 - 7IG C19 H19 F2 N5 CCc1c(c(nc....
83 2IL2 Kd = 79 nM LIX C32 H38 N6 O5 S CCc1c(c(nc....
84 5SY3 ic50 = 43 uM 74Z C15 H15 N3 O S c1cc(oc1)C....
85 4Q1N ic50 = 0.2 nM 2Y9 C26 H42 N4 O4 CCOC[C@@H]....
86 2I4Q ic50 = 0.007 uM UA4 C25 H27 F2 N5 O3 CCc1c(c(nc....
87 2BKS ic50 = 37 nM PZ1 C34 H41 N3 O6 COc1ccccc1....
88 4S1G Ki = 0.6 nM 43T C24 H29 F N4 O2 C[C@@H](c1....
89 4XX3 Ki = 56 nM 70X C23 H28 N4 O2 [H]/N=C1/N....
90 2G1S - 4IG C24 H25 F2 N5 O3 CCc1c(c(nc....
91 2G20 - L1A C33 H50 N6 O7 S2 CC(C)C[C@@....
92 5SXN ic50 = 11 uM 74U C19 H15 N3 O c1ccc(cc1)....
93 3G70 ic50 = 0.4 nM A5T C33 H32 Cl3 F2 N3 O2 c1cc(c(c(c....
94 2G1Y - 5IG C20 H27 N5 O3 CCc1c(c(nc....
95 2G1R - 3IG C20 H26 N6 O3 CCc1c(c(nc....
96 4GJC ic50 = 0.09 uM 0MJ C27 H29 N3 O4 S Cc1ccc(cc1....
97 4GJ8 - 0LW C20 H23 N O S c1ccc2c(c1....
98 5SY2 ic50 = 11 uM 74V C18 H25 N5 O2 CCN([C@H]1....
99 5KOS ic50 = 1.5 nM 6VS C27 H46 N6 O4 CC(C)CN([C....
100 3G72 ic50 = 0.8 nM A6T C33 H32 Cl3 F2 N3 O2 c1cc(c(c(c....
101 3G6Z ic50 = 0.2 nM A7T C35 H39 Cl2 N3 O3 Cc1cccc(c1....
102 3GW5 ic50 = 0.47 nM 72X C28 H46 Cl N3 O3 CNC[C@H](C....
103 3SFC ic50 = 0.003 uM S53 C32 H29 F N4 O2 Cc1ccc(cc1....
104 2IKO Kd = 3571 nM 7IG C19 H19 F2 N5 CCc1c(c(nc....
105 3K1W - BFX C31 H31 Br Cl F N2 O2 c1ccc(c(c1....
106 4XX4 Ki = 44 nM 70Y C25 H30 N4 O2 [H]/N=C1/N....
107 2FS4 ic50 = 37 nM PZ1 C34 H41 N3 O6 COc1ccccc1....
108 2BKT ic50 = 23 nM RPF C31 H37 N3 O5 COc1ccccc1....
109 4GJ5 - 0LR C22 H23 N O c1ccc(cc1)....
110 2G22 - 6IG C27 H35 N5 O CCc1c(c(nc....
111 1RNE ic50 = 2 nM C60 C39 H63 N5 O6 S CCCCNC(=O)....
112 2G26 - 3LG C32 H35 N3 O7 COc1ccccc1....
113 4Y6M - 48Q C39 H52 N4 O4 CCCN(CCC)C....
114 5YIE Ki = 5.6 nM 8VF C39 H51 N5 O6 S CCN(CCN)c1....
115 5YID Ki = 4 nM K95 C37 H44 N4 O6 S2 CC1([C@H](....
116 2IGX - A1T C41 H49 N5 O2 CCCCCc1ccc....
117 5YIC Ki = 1.3 nM 8VO C37 H45 N5 O6 S2 CC1([C@H](....
118 4CKU ic50 = 0.15 uM P2F C38 H52 N4 O6 S CCCN(CCC)C....
119 1XDH - IVA VAL VAL STA ALA STA n/a n/a
120 1LF2 - R37 C32 H41 N3 O4 Cc1cccc(c1....
121 5YIB Ki = 3.3 nM 8VC C40 H53 N5 O6 S Cc1cc(cc(c....
122 1LEE - R36 C32 H41 N3 O4 Cc1cccc(c1....
123 5YIA Ki = 3 nM 8V9 C37 H44 N4 O7 S2 CC1([C@H](....
124 1XE5 - 5FE C29 H47 F6 N5 O9 C[C@@H](C(....
125 5RBV - RQD C10 H12 F N O2 COC(=O)[C@....
126 5RCG - REG C11 H20 N2 O2 C1CCC(C1)N....
127 5R1U - T9G C9 H13 N O CC[C@H](c1....
128 5RC3 - RAY C11 H14 F N O3 COCCOCC(=O....
129 5R21 - R9Y C11 H16 N2 CN1CCCc2c1....
130 5RCE - RE4 C11 H13 N5 Cc1cc(nc(n....
131 5RBS - R8V C9 H9 N O2 CN1[C@H](c....
132 5RBU - R97 C10 H10 N2 S Cc1csc(n1)....
133 5R2C - RE4 C11 H13 N5 Cc1cc(nc(n....
134 5R20 - R9V C14 H19 N O c1ccc(cc1)....
135 5RCC - RDV C12 H22 N2 O C1CCC(C1)C....
136 5RC4 - RB7 C11 H16 Br N O2 S Cc1cc(ccc1....
137 5R25 - RBJ C8 H11 N O CNCc1ccc(c....
138 5HCT Ki = 0.0254 uM 61P C30 H30 N8 O2 c1ccc2c(c1....
139 5R1W - R8Y C10 H13 N O3 S CCN(CCC(=O....
140 5R23 - RAY C11 H14 F N O3 COCCOCC(=O....
141 5RC5 - RBG C10 H20 N2 O CC(C)(C)NC....
142 5RCB - RDM C12 H15 N O3 CC(=O)N[C@....
143 5RC6 - RBJ C8 H11 N O CNCc1ccc(c....
144 5RBQ - R8P C8 H9 N O3 C[C@@H](c1....
145 5R1V - R8S C5 H8 N4 O COc1ccnc(n....
146 5R1Z - R9M C6 H7 N O2 S c1csc(n1)C....
147 5R2B - RDY C12 H15 N O4 C[C@@H](C(....
148 5RC7 - AES C8 H10 F N O2 S c1cc(ccc1C....
149 5RBO - R8A C6 H8 N2 O c1cc(c(nc1....
150 5R26 - RCV C10 H13 N O3 COC(=O)COc....
151 5R1Y - R9J C11 H15 N O2 Cc1ccc(cc1....
152 5RBZ - R9S C9 H11 N O Cc1ccccc1C....
153 5R1X - RQD C10 H12 F N O2 COC(=O)[C@....
154 5RC8 - RCV C10 H13 N O3 COC(=O)COc....
155 5RC9 - RD4 C9 H12 N2 O [H]/N=C(c1....
156 5RBY - R9M C6 H7 N O2 S c1csc(n1)C....
157 5RCF - RE7 C13 H16 F N3 C[C@H](c1c....
158 5R24 - RB7 C11 H16 Br N O2 S Cc1cc(ccc1....
159 5R28 - RDJ C9 H15 N3 O2 S CCNC(=O)CS....
160 5RBT - RA7 C8 H12 N2 O2 S c1c(sc(n1)....
161 5RCD - RDY C12 H15 N O4 C[C@@H](C(....
162 5RBR - R8S C5 H8 N4 O COc1ccnc(n....
163 5R2D - REG C11 H20 N2 O2 C1CCC(C1)N....
164 5RC0 - R9V C14 H19 N O c1ccc(cc1)....
165 5R29 - RDM C12 H15 N O3 CC(=O)N[C@....
166 5R1T - R8A C6 H8 N2 O c1cc(c(nc1....
167 5R2A - RDV C12 H22 N2 O C1CCC(C1)C....
168 5R27 - RD4 C9 H12 N2 O [H]/N=C(c1....
169 5RBX - R9J C11 H15 N O2 Cc1ccc(cc1....
170 5RC1 - R9Y C11 H16 N2 CN1CCCc2c1....
171 5RCA - RDJ C9 H15 N3 O2 S CCNC(=O)CS....
172 5R22 - RA7 C8 H12 N2 O2 S c1c(sc(n1)....
173 5RC2 - R8Y C10 H13 N O3 S CCN(CCC(=O....
174 5RBW - R9G C12 H15 N O2 COc1cccc(c....
175 5RBP - SYG C9 H13 N O CC[C@@H](c....
176 1PPM Ki = 1600 nM 0P1 C29 H40 N3 O9 P C[C@@H](C(....
177 2WED Ki = 0.8 uM PP6 C29 H32 N2 O7 P CC(C)[C@H]....
178 1APU Ki = 1.6 nM IVA VAL VAL 32L n/a n/a
179 2WEC Ki = 110 uM PP5 C28 H32 N2 O7 P CC(C)[C@@H....
180 1APW Ki = 10 nM IVA VAL VAL DFI NME n/a n/a
181 1PPL Ki = 2.8 nM 1Z7 C30 H50 N3 O8 P CC(C)C[C@H....
182 2WEB Ki = 7.6 uM PP4 C28 H32 N2 O7 P CC(C)[C@@H....
183 2WEA - PP6 C29 H32 N2 O7 P CC(C)[C@H]....
184 1BXO Ki = 0.1 nM PP7 C30 H47 N4 O9 P CC(C)C[C@@....
185 1APT - IVA VAL VAL LTA n/a n/a
186 1PPK Ki = 22 nM IVV C24 H46 N3 O7 P CCOC(=O)C[....
187 1BXQ Ki = 42 nM PP8 C29 H47 N4 O9 P CC(C)C[C@H....
188 1APV Ki = 1 nM IVA VAL VAL DFO NME n/a n/a
189 1SMR - PIV HIS PRO PHE HIS LPL TYR TYR SER n/a n/a
190 1QRP - HH0 C36 H60 N5 O10 P C[C@@H](C(....
191 1PSO - IVA VAL VAL STA ALA STA n/a n/a
192 2QZX ic50 = 6 nM IVA VAL VAL STA ALA STA n/a n/a
193 2JXR Ki = 90 nM 2Z3 C32 H49 F2 N5 O7 NULL
194 1FQ5 Ki = 4 nM 0GM C51 H61 N5 O6 CC(C)C[C@H....
195 1QS8 - IVA VAL VAL STA ALA STA n/a n/a
196 1ZAP Ki = 0.17 nM A70 C42 H70 N6 O5 CCCC[C@@H]....
197 1IZE - IVA VAL VAL STA ALA STA n/a n/a
198 1WKR - IVA VAL VAL STA ALA STA n/a n/a
199 5N7Q - IVA VAL VAL STA ALA STA n/a n/a
200 5N70 Kd ~ 3 nM ALA PHE ARG ILE PRO LEU THR ARG n/a n/a
201 3EMY - IVA VAL VAL STA ALA STA n/a n/a
202 2H6T Ki = 60 nM IVA VAL VAL STA ALA STA n/a n/a
203 3FV3 Ki = 0.3 nM IVA VAL VAL STA ALA STA n/a n/a
204 3QVI - K95 C37 H44 N4 O6 S2 CC1([C@H](....
205 3APR - DHI PRO PHE HIS PUK VAL TYR n/a n/a
206 6APR Ki < 17 nM IVA VAL VAL STA ALA STA n/a n/a
207 5APR Ki < 17 nM HIS PRO PHE CYS STA LEU PHE DHL n/a n/a
208 4APR Ki = 200 nM IVA HIS PRO PHE HIS STA LEU PHE n/a n/a
209 1CZI - PRO PHI SMC NOR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: R9Y; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 R9Y 1 1
2 UFO 0.423077 0.829268
Similar Ligands (3D)
Ligand no: 1; Ligand: R9Y; Similar ligands found: 1114
No: Ligand Similarity coefficient
1 MRW 0.9709
2 KDV 0.9667
3 A7W 0.9667
4 8W9 0.9649
5 N8Y 0.9633
6 SYV 0.9614
7 DIN 0.9609
8 8ZE 0.9608
9 JND 0.9605
10 N2I 0.9564
11 GNM 0.9516
12 7ME 0.9507
13 1M2 0.9507
14 2BG 0.9504
15 XIY 0.9498
16 BCU 0.9485
17 KT7 0.9480
18 4MU 0.9468
19 E7S 0.9460
20 ES5 0.9458
21 2EC 0.9455
22 8WT 0.9451
23 H42 0.9447
24 JB5 0.9441
25 4FS 0.9437
26 J6W 0.9436
27 KUF 0.9436
28 2AQ 0.9433
29 03V 0.9430
30 9ZE 0.9419
31 CWS 0.9418
32 APZ 0.9418
33 KJU 0.9418
34 F9Y 0.9414
35 3R6 0.9411
36 SLS 0.9411
37 J9T 0.9411
38 6RQ 0.9409
39 OCH 0.9405
40 3Z8 0.9403
41 AJV 0.9395
42 COU 0.9393
43 MS9 0.9382
44 GJP 0.9379
45 4YO 0.9373
46 HBO 0.9370
47 069 0.9369
48 KTW 0.9366
49 8TX 0.9365
50 15N 0.9365
51 IV2 0.9364
52 C9E 0.9362
53 PH2 0.9351
54 2HQ 0.9351
55 HHR 0.9351
56 0P6 0.9350
57 URC 0.9348
58 6FZ 0.9348
59 5GU 0.9347
60 JP2 0.9346
61 V1T 0.9344
62 27B 0.9338
63 4JQ 0.9336
64 VXX 0.9336
65 XQ0 0.9334
66 CLZ 0.9333
67 0TU 0.9333
68 XAZ 0.9333
69 SRO 0.9332
70 5RO 0.9330
71 6VD 0.9329
72 0FK 0.9326
73 JG8 0.9325
74 MR1 0.9325
75 DOB 0.9324
76 FA0 0.9322
77 5TY 0.9321
78 4M0 0.9320
79 BHA 0.9318
80 TSS 0.9318
81 N2M 0.9316
82 BTY 0.9311
83 8CM 0.9309
84 PNZ 0.9307
85 8NX 0.9306
86 1KP 0.9305
87 8IG 0.9305
88 DEE 0.9303
89 5OB 0.9297
90 0W1 0.9294
91 BZ2 0.9294
92 SG2 0.9294
93 ICB 0.9293
94 JTH 0.9293
95 QX4 0.9292
96 MQN 0.9291
97 BK9 0.9291
98 ARP 0.9289
99 ESP 0.9288
100 LDP 0.9288
101 ABV 0.9286
102 5NU 0.9285
103 0HN 0.9285
104 TTL 0.9281
105 9R5 0.9280
106 EUG 0.9280
107 ES2 0.9278
108 5CU 0.9277
109 1HN 0.9275
110 JDN 0.9273
111 428 0.9273
112 1F1 0.9272
113 CWJ 0.9271
114 BGC 0.9271
115 CLW 0.9269
116 1P8 0.9269
117 3A9 0.9269
118 ET2 0.9268
119 A29 0.9267
120 ESX 0.9266
121 PXL 0.9266
122 AEH 0.9265
123 I3A 0.9263
124 BPN 0.9262
125 JB8 0.9259
126 N1E 0.9259
127 AX7 0.9257
128 5WV 0.9255
129 EXD 0.9253
130 94W 0.9247
131 3VX 0.9247
132 APS 0.9245
133 KYA 0.9242
134 IAC 0.9240
135 5WU 0.9239
136 5XC 0.9239
137 0FN 0.9238
138 QBM 0.9236
139 68A 0.9234
140 EGR 0.9234
141 HA5 0.9232
142 0JD 0.9231
143 0XT 0.9230
144 2D0 0.9229
145 1A7 0.9229
146 NIZ 0.9225
147 2MI 0.9223
148 4NM 0.9223
149 BZJ 0.9222
150 CWM 0.9221
151 1P7 0.9220
152 4BZ 0.9219
153 E5X 0.9219
154 AX3 0.9217
155 5NI 0.9216
156 9CA 0.9215
157 E35 0.9215
158 4Z4 0.9212
159 7W1 0.9210
160 JA8 0.9209
161 B57 0.9209
162 6NT 0.9208
163 VGD 0.9207
164 4AA 0.9205
165 HQJ 0.9204
166 8HC 0.9203
167 DQU 0.9202
168 ESI 0.9200
169 ES7 0.9198
170 9FL 0.9198
171 12T 0.9198
172 6QF 0.9197
173 7W4 0.9197
174 5QY 0.9197
175 4HM 0.9197
176 7HQ 0.9194
177 0HO 0.9194
178 ES0 0.9193
179 X0U 0.9192
180 SWA 0.9192
181 GLC 0.9192
182 39O 0.9191
183 7MU 0.9191
184 BZ3 0.9191
185 FBB 0.9190
186 4XV 0.9190
187 4RU 0.9188
188 KJH 0.9187
189 SKA 0.9185
190 Q88 0.9184
191 AJY 0.9183
192 3R4 0.9182
193 4BL 0.9181
194 15E 0.9180
195 DPZ 0.9177
196 RNO 0.9174
197 E7Z 0.9174
198 G3F 0.9171
199 5VM 0.9170
200 5B1 0.9168
201 61M 0.9167
202 GCS 0.9167
203 92P 0.9166
204 2ZM 0.9165
205 75K 0.9165
206 K3Q 0.9165
207 EVF 0.9164
208 EOL 0.9164
209 JAW 0.9164
210 GO8 0.9163
211 B55 0.9162
212 NAG 0.9160
213 EV0 0.9159
214 4ME 0.9158
215 E1T 0.9157
216 I1E 0.9156
217 P92 0.9156
218 TOF 0.9155
219 EN1 0.9155
220 JAE 0.9154
221 BHO 0.9154
222 D8Q 0.9153
223 36E 0.9152
224 12Q 0.9151
225 BEA 0.9150
226 ISN 0.9150
227 OA3 0.9150
228 NOJ 0.9149
229 2FY 0.9147
230 11S 0.9147
231 SKF 0.9146
232 H4N 0.9146
233 K2T 0.9145
234 MEW 0.9145
235 3IT 0.9144
236 270 0.9143
237 PQ0 0.9143
238 5QX 0.9143
239 3NY 0.9143
240 L5V 0.9143
241 SHA 0.9140
242 86J 0.9139
243 FK1 0.9138
244 ES9 0.9138
245 F0J 0.9138
246 ISZ 0.9138
247 LYL 0.9138
248 209 0.9135
249 M6N 0.9135
250 H33 0.9134
251 0FO 0.9132
252 4JT 0.9132
253 SNO 0.9132
254 M1Q 0.9131
255 M1Z 0.9131
256 H7Y 0.9130
257 717 0.9130
258 TSR 0.9129
259 TGX 0.9129
260 GO2 0.9126
261 BQ2 0.9125
262 ANN 0.9124
263 HHS 0.9123
264 V55 0.9118
265 259 0.9118
266 Z82 0.9118
267 2JK 0.9117
268 344 0.9115
269 3PF 0.9114
270 N3W 0.9113
271 DNF 0.9113
272 8NY 0.9113
273 M5K 0.9112
274 KKN 0.9112
275 MUA 0.9111
276 EMZ 0.9111
277 FDR 0.9110
278 6NI 0.9109
279 FDB 0.9107
280 Q24 0.9107
281 INE 0.9106
282 CTL 0.9106
283 8WO 0.9106
284 MAJ 0.9105
285 D48 0.9105
286 SXS 0.9105
287 4XS 0.9104
288 PRF 0.9103
289 GZL 0.9103
290 VOH 0.9102
291 GCU 0.9102
292 BPU 0.9101
293 HKD 0.9101
294 3QV 0.9099
295 NDH 0.9099
296 0F9 0.9099
297 BNF 0.9099
298 N5J 0.9097
299 5JL 0.9097
300 MWP 0.9097
301 GDE 0.9096
302 PE0 0.9096
303 5SG 0.9095
304 4HC 0.9095
305 36R 0.9094
306 I3E 0.9093
307 92K 0.9093
308 NPO 0.9093
309 GC3 0.9092
310 97T 0.9091
311 M4E 0.9090
312 GTQ 0.9090
313 PHB 0.9090
314 CFI 0.9088
315 5MI 0.9087
316 4WL 0.9087
317 2A9 0.9086
318 1NP 0.9086
319 1LM 0.9086
320 GZ8 0.9085
321 S7G 0.9084
322 1LQ 0.9084
323 82I 0.9084
324 R20 0.9084
325 1SQ 0.9080
326 AQO 0.9080
327 5MB 0.9080
328 CXH 0.9079
329 AY4 0.9079
330 7B4 0.9079
331 24W 0.9078
332 MO8 0.9077
333 ASC 0.9075
334 F4E 0.9075
335 M2K 0.9074
336 O72 0.9074
337 2LY 0.9074
338 B62 0.9074
339 54G 0.9074
340 42A 0.9073
341 174 0.9073
342 5IQ 0.9070
343 KOJ 0.9070
344 ANC 0.9069
345 J9Q 0.9068
346 GAL 0.9068
347 JYB 0.9067
348 DK1 0.9067
349 C2Y 0.9067
350 J9W 0.9067
351 4BY 0.9067
352 6KT 0.9066
353 4YS 0.9066
354 HQY 0.9066
355 VNL 0.9066
356 7VS 0.9066
357 8S0 0.9066
358 2AL 0.9065
359 FBM 0.9063
360 GHM 0.9062
361 TH7 0.9062
362 AZ8 0.9061
363 SYA 0.9061
364 ONR 0.9060
365 CN0 0.9060
366 SOR 0.9059
367 ES1 0.9058
368 JBH 0.9058
369 HMH 0.9058
370 N91 0.9057
371 BZX 0.9057
372 JPZ 0.9055
373 1IT 0.9055
374 RM1 0.9055
375 INO 0.9054
376 7MX 0.9052
377 JF2 0.9052
378 FF2 0.9051
379 G3E 0.9051
380 173 0.9050
381 3ZB 0.9050
382 O2A 0.9049
383 5M0 0.9048
384 N7I 0.9048
385 5Q0 0.9047
386 ABI 0.9047
387 ALE 0.9046
388 AJ2 0.9046
389 XDE 0.9046
390 2O6 0.9045
391 LNR 0.9045
392 4ZA 0.9044
393 F1A 0.9042
394 A7H 0.9042
395 5JQ 0.9042
396 ICO 0.9042
397 4M4 0.9041
398 XM0 0.9040
399 BDI 0.9039
400 F60 0.9039
401 8NB 0.9038
402 5H1 0.9038
403 AN3 0.9038
404 5RN 0.9038
405 LT2 0.9038
406 14O 0.9036
407 UNJ 0.9035
408 4P5 0.9035
409 DHK 0.9035
410 9FE 0.9033
411 IWT 0.9033
412 SQ7 0.9032
413 3MG 0.9032
414 FUD 0.9031
415 Q71 0.9030
416 IOS 0.9028
417 5MK 0.9028
418 HQT 0.9027
419 PPY 0.9027
420 23J 0.9027
421 PBZ 0.9025
422 44W 0.9024
423 TXW 0.9023
424 AMH 0.9022
425 JU2 0.9022
426 EVA 0.9022
427 1DW 0.9021
428 OTW 0.9020
429 93K 0.9020
430 2KA 0.9019
431 4MA 0.9018
432 JTA 0.9018
433 1L5 0.9018
434 PBA 0.9018
435 XHP 0.9016
436 LZM 0.9016
437 GM7 0.9016
438 PAB 0.9016
439 EYV 0.9016
440 GJS 0.9015
441 YTX 0.9015
442 KMY 0.9014
443 SE2 0.9013
444 NPA 0.9013
445 2CZ 0.9012
446 SX1 0.9012
447 4KL 0.9011
448 4V2 0.9010
449 8XL 0.9009
450 SQ4 0.9008
451 DX3 0.9008
452 2H5 0.9008
453 M1H 0.9007
454 M0Q 0.9007
455 R8V 0.9007
456 0W8 0.9007
457 L14 0.9005
458 HX4 0.9005
459 QAS 0.9004
460 XQI 0.9004
461 6AI 0.9004
462 IFL 0.9003
463 GNV 0.9003
464 CFF 0.9003
465 DRG 0.9003
466 IPB 0.9003
467 QAT 0.9002
468 2K4 0.9001
469 FLV 0.9000
470 G2F 0.9000
471 DHB 0.8999
472 CK2 0.8998
473 BPY 0.8998
474 9TW 0.8998
475 1Y6 0.8996
476 LGC 0.8996
477 PEY 0.8994
478 J9N 0.8993
479 ZHA 0.8991
480 9TZ 0.8991
481 5RG 0.8990
482 UAN 0.8990
483 DHC 0.8990
484 DNA 0.8988
485 F31 0.8988
486 NOY 0.8986
487 2K8 0.8986
488 EA1 0.8984
489 PYQ 0.8982
490 M0W 0.8982
491 ASO 0.8981
492 J5I 0.8981
493 LQ2 0.8981
494 JF1 0.8980
495 3HA 0.8980
496 3WA 0.8980
497 PZI 0.8980
498 6TZ 0.8979
499 NDM 0.8979
500 AC6 0.8979
501 TT4 0.8979
502 TTY 0.8976
503 BGU 0.8975
504 2HU 0.8975
505 44V 0.8975
506 GCB 0.8974
507 GDL 0.8973
508 BIK 0.8972
509 4XH 0.8972
510 NGO 0.8972
511 6ME 0.8972
512 6Q3 0.8971
513 H5B 0.8971
514 293 0.8971
515 ZME 0.8971
516 ADZ 0.8970
517 NDG 0.8968
518 4XF 0.8967
519 TWO 0.8966
520 E7R 0.8965
521 TZF 0.8964
522 NLA 0.8964
523 5WT 0.8964
524 S60 0.8963
525 L99 0.8963
526 OW4 0.8961
527 226 0.8961
528 2HO 0.8961
529 ODO 0.8961
530 SKM 0.8961
531 B5D 0.8960
532 7WR 0.8960
533 NBG 0.8960
534 P72 0.8958
535 KJY 0.8958
536 1QP 0.8957
537 L22 0.8957
538 QSH 0.8956
539 K22 0.8955
540 HX3 0.8954
541 NYL 0.8953
542 6HP 0.8953
543 M6Z 0.8952
544 DBH 0.8951
545 BDP 0.8950
546 ANF 0.8950
547 54X 0.8949
548 JLZ 0.8949
549 4R1 0.8948
550 TAG 0.8947
551 JFJ 0.8947
552 YRL 0.8944
553 826 0.8943
554 0NX 0.8943
555 HBD 0.8943
556 GLT 0.8942
557 OVM 0.8942
558 ITE 0.8941
559 AZ9 0.8940
560 7B3 0.8940
561 M4T 0.8938
562 5OF 0.8938
563 PHU 0.8938
564 8XQ 0.8937
565 7VP 0.8935
566 G6P 0.8934
567 S0E 0.8934
568 MXD 0.8932
569 GVG 0.8930
570 HLZ 0.8929
571 F9P 0.8929
572 JXZ 0.8927
573 AHR 0.8927
574 57O 0.8927
575 JBQ 0.8926
576 CH9 0.8926
577 4TU 0.8925
578 3M0 0.8925
579 2FX 0.8924
580 MVN 0.8924
581 MSR 0.8924
582 F2W 0.8924
583 NNO 0.8923
584 DBJ 0.8923
585 549 0.8923
586 PHE 0.8923
587 45L 0.8923
588 GLA 0.8923
589 ORO 0.8923
590 HH8 0.8922
591 Z5P 0.8922
592 AH9 0.8922
593 GNY 0.8921
594 LCN 0.8921
595 5GT 0.8920
596 7I2 0.8919
597 ZYQ 0.8918
598 I6G 0.8917
599 8GK 0.8915
600 EUE 0.8913
601 OMD 0.8912
602 4NB 0.8909
603 GOJ 0.8908
604 GXY 0.8907
605 X11 0.8906
606 G4D 0.8906
607 2AK 0.8906
608 6CS 0.8906
609 42J 0.8903
610 PFB 0.8901
611 K37 0.8900
612 36M 0.8900
613 PJW 0.8899
614 4A5 0.8899
615 GIV 0.8899
616 MB1 0.8895
617 B60 0.8895
618 4FH 0.8894
619 DRL 0.8893
620 NQ 0.8893
621 HDH 0.8893
622 M1E 0.8893
623 BZE 0.8892
624 3F0 0.8892
625 DGJ 0.8892
626 67N 0.8891
627 KLK 0.8891
628 SHG 0.8891
629 K32 0.8890
630 TSU 0.8890
631 VK3 0.8889
632 KBG 0.8888
633 QBK 0.8885
634 JXN 0.8885
635 ROI 0.8885
636 4J8 0.8884
637 5VL 0.8884
638 DE5 0.8884
639 3RI 0.8883
640 N2Z 0.8883
641 OW7 0.8883
642 SNU 0.8881
643 AES 0.8881
644 9AP 0.8880
645 FYU 0.8877
646 CIY 0.8877
647 4Z3 0.8877
648 HQD 0.8877
649 FHC 0.8877
650 S7J 0.8876
651 3DO 0.8875
652 FGZ 0.8875
653 3J8 0.8874
654 LKA 0.8874
655 CKA 0.8873
656 680 0.8873
657 P9E 0.8872
658 NCT 0.8871
659 0N7 0.8870
660 MT0 0.8870
661 KBZ 0.8868
662 FCR 0.8867
663 1U6 0.8865
664 3AE 0.8863
665 LDR 0.8863
666 OVP 0.8863
667 5WY 0.8862
668 AAN 0.8862
669 SN4 0.8862
670 OXC 0.8862
671 B21 0.8861
672 NOK 0.8859
673 B2J 0.8859
674 28N 0.8858
675 PO6 0.8857
676 495 0.8857
677 4NC 0.8855
678 JR2 0.8855
679 GF4 0.8853
680 DBX 0.8852
681 MYJ 0.8851
682 0BP 0.8850
683 LPK 0.8850
684 GAF 0.8850
685 5LA 0.8848
686 37T 0.8846
687 PIY 0.8845
688 JBK 0.8845
689 GTR 0.8845
690 4CS 0.8845
691 UNC 0.8844
692 RXA 0.8844
693 1QV 0.8844
694 30G 0.8844
695 HZQ 0.8843
696 M5H 0.8842
697 NPY 0.8841
698 G12 0.8841
699 PMP 0.8841
700 C2U 0.8841
701 P3K 0.8840
702 M1A 0.8839
703 261 0.8838
704 ZXD 0.8838
705 6X9 0.8837
706 X8Z 0.8837
707 SAN 0.8837
708 2HC 0.8837
709 AAS 0.8837
710 9MG 0.8837
711 QUZ 0.8836
712 P9P 0.8836
713 4XR 0.8836
714 258 0.8835
715 OTR 0.8835
716 4LW 0.8835
717 4NZ 0.8834
718 FBF 0.8834
719 FOT 0.8834
720 PRZ 0.8832
721 SOE 0.8832
722 QXW 0.8831
723 HNQ 0.8831
724 PIM 0.8831
725 795 0.8831
726 IL5 0.8831
727 FK8 0.8831
728 1XN 0.8830
729 KTJ 0.8829
730 4A3 0.8828
731 HDL 0.8828
732 RA7 0.8828
733 NVU 0.8827
734 B4O 0.8826
735 AA 0.8826
736 XX2 0.8826
737 DIU 0.8826
738 YH7 0.8825
739 CFA 0.8823
740 MAQ 0.8822
741 149 0.8822
742 F05 0.8821
743 F5C 0.8820
744 DMD 0.8819
745 DNC 0.8819
746 DOR 0.8819
747 ST3 0.8819
748 6M9 0.8818
749 3HM 0.8817
750 CCV 0.8817
751 ZZT 0.8816
752 FHB 0.8815
753 IF7 0.8815
754 BHQ 0.8814
755 P7Y 0.8814
756 NID 0.8813
757 YQA 0.8813
758 268 0.8813
759 2FG 0.8812
760 52C 0.8811
761 M3H 0.8811
762 3DM 0.8811
763 4I8 0.8811
764 R2P 0.8811
765 A5E 0.8810
766 FE DB1 0.8810
767 1XM 0.8809
768 X6X 0.8809
769 ZB1 0.8809
770 5NE 0.8809
771 FBS 0.8808
772 6AP 0.8808
773 FDK 0.8807
774 FP1 0.8806
775 BOA 0.8806
776 PXM 0.8806
777 GJZ 0.8806
778 GAB 0.8806
779 QIV 0.8804
780 BNT 0.8804
781 GSY 0.8804
782 XM5 0.8803
783 CSN 0.8802
784 TPA 0.8801
785 GZ2 0.8801
786 2ZQ 0.8801
787 PQK 0.8799
788 3HB 0.8797
789 N4E 0.8797
790 ADA 0.8794
791 3XX 0.8794
792 8OZ 0.8794
793 3NT 0.8794
794 7NI 0.8793
795 TIU 0.8793
796 BNL 0.8793
797 XFE 0.8793
798 505 0.8792
799 Q6T 0.8791
800 3C4 0.8791
801 28S 0.8790
802 6L6 0.8790
803 KGK 0.8790
804 EKZ 0.8789
805 P84 0.8788
806 QMS 0.8788
807 6FB 0.8788
808 THA 0.8785
809 463 0.8785
810 HRM 0.8784
811 SVN 0.8784
812 HPT 0.8780
813 2LP 0.8780
814 P80 0.8778
815 W81 0.8778
816 D07 0.8777
817 1GN 0.8776
818 4FA 0.8776
819 GXL 0.8776
820 PA1 0.8775
821 QSB 0.8775
822 MNM 0.8774
823 2CK 0.8772
824 SLC 0.8772
825 M78 0.8772
826 Y3L 0.8772
827 MD6 0.8771
828 IJZ 0.8771
829 PD2 0.8771
830 67X 0.8770
831 IFP 0.8770
832 IQ5 0.8770
833 QBS 0.8770
834 3ID 0.8769
835 X0V 0.8769
836 6GU 0.8769
837 K4V 0.8768
838 3Y7 0.8768
839 3N1 0.8768
840 XAN 0.8767
841 MBG 0.8767
842 7FF 0.8766
843 MAN 0.8766
844 TMG 0.8766
845 CR1 0.8765
846 Z13 0.8765
847 EYK 0.8765
848 KTA 0.8764
849 QWN 0.8764
850 TCA 0.8763
851 KBB 0.8762
852 BCP 0.8762
853 F12 0.8762
854 HSO 0.8761
855 TYL 0.8760
856 9EW 0.8760
857 15L 0.8760
858 3OC 0.8760
859 1XA 0.8759
860 D3G 0.8759
861 7ZE 0.8759
862 AZA 0.8758
863 0CU 0.8758
864 6ZW 0.8756
865 32X 0.8755
866 SYR 0.8755
867 6J9 0.8754
868 ENO 0.8754
869 0LH 0.8753
870 HHA 0.8750
871 0RW 0.8749
872 CHB 0.8749
873 1VK 0.8749
874 8U3 0.8748
875 FH2 0.8748
876 42C 0.8747
877 SAL 0.8747
878 3TC 0.8746
879 9DG 0.8746
880 OQC 0.8746
881 DHQ 0.8746
882 8H8 0.8744
883 PKU 0.8744
884 XCG 0.8744
885 K68 0.8741
886 CKU 0.8741
887 HPA 0.8741
888 XXP 0.8741
889 SYE 0.8740
890 ALL 0.8739
891 ZEC 0.8739
892 GUN 0.8738
893 3MB 0.8737
894 39A 0.8736
895 SWD 0.8736
896 HC4 0.8734
897 Q77 0.8734
898 AKH 0.8733
899 S7S 0.8733
900 FA3 0.8732
901 HJP 0.8731
902 4NO 0.8731
903 A2F 0.8730
904 PLP 0.8730
905 K5W 0.8729
906 YZM 0.8729
907 WOO 0.8728
908 5NS 0.8728
909 HPS 0.8727
910 PZM 0.8725
911 WCE 0.8725
912 T9G 0.8725
913 NBV 0.8724
914 6DP 0.8724
915 535 0.8724
916 FER 0.8723
917 D1X 0.8723
918 YPN 0.8722
919 H4B 0.8722
920 6R8 0.8721
921 IHB 0.8721
922 MUX 0.8718
923 4VY 0.8718
924 XIZ 0.8718
925 DHY 0.8717
926 AEF 0.8716
927 A13 0.8716
928 2QC 0.8714
929 FIX 0.8714
930 86L 0.8713
931 QPR 0.8712
932 55D 0.8711
933 091 0.8711
934 CPZ 0.8711
935 PAC 0.8711
936 TYR 0.8710
937 PHH 0.8709
938 PDC 0.8709
939 TFU 0.8707
940 HLR 0.8707
941 5WS 0.8707
942 LSA 0.8706
943 A5P 0.8706
944 BMA 0.8705
945 39U 0.8705
946 JKE 0.8705
947 34D 0.8705
948 4V6 0.8703
949 ES6 0.8702
950 RMN 0.8702
951 NSP 0.8702
952 FCD 0.8700
953 2GS 0.8699
954 ADE 0.8699
955 PFL 0.8699
956 AW5 0.8698
957 L7T 0.8698
958 DX4 0.8697
959 5WX 0.8697
960 OVV 0.8697
961 FA1 0.8697
962 FAN 0.8696
963 3U4 0.8690
964 B53 0.8690
965 KFH 0.8690
966 LIP 0.8689
967 AC2 0.8689
968 TIY 0.8688
969 10L 0.8688
970 MCO 0.8688
971 K25 0.8687
972 141 0.8686
973 GC2 0.8686
974 363 0.8685
975 IGA 0.8685
976 3TJ 0.8685
977 6M4 0.8683
978 ZWZ 0.8681
979 3Z7 0.8681
980 QMP 0.8681
981 1WC 0.8680
982 JXK 0.8677
983 0J5 0.8677
984 4ZC 0.8676
985 BE2 0.8675
986 6MP 0.8674
987 KG1 0.8674
988 BIO 0.8673
989 SR1 0.8673
990 YIO 0.8672
991 FRU 0.8671
992 BY5 0.8669
993 PRA 0.8668
994 E3D 0.8667
995 PBN 0.8666
996 NFM 0.8665
997 BTE 0.8665
998 KLV 0.8665
999 0FR 0.8665
1000 KIB 0.8664
1001 3FH 0.8664
1002 HMU 0.8664
1003 W8G 0.8663
1004 12B 0.8663
1005 3AB 0.8663
1006 9GP 0.8663
1007 4SV 0.8662
1008 SJ5 0.8662
1009 S8A 0.8662
1010 GLY PRO 0.8661
1011 MIG 0.8661
1012 PEA 0.8661
1013 UEG 0.8660
1014 MQB 0.8660
1015 IPD 0.8658
1016 K34 0.8656
1017 HH5 0.8655
1018 JBE 0.8654
1019 EQT 0.8653
1020 M45 0.8653
1021 S0G 0.8651
1022 GLO 0.8651
1023 7AP 0.8648
1024 R9S 0.8646
1025 HXX 0.8645
1026 AMR 0.8643
1027 GRE 0.8638
1028 06B 0.8637
1029 7HP 0.8636
1030 PQT 0.8635
1031 ZVO 0.8635
1032 BSX 0.8634
1033 RUY 0.8634
1034 NMJ 0.8634
1035 4LV 0.8634
1036 8G0 0.8629
1037 9KZ 0.8628
1038 GCO 0.8628
1039 HCI 0.8627
1040 DQA 0.8625
1041 FQI 0.8624
1042 KIA 0.8624
1043 BVA 0.8622
1044 2F6 0.8619
1045 TRP 0.8617
1046 LSQ 0.8610
1047 36Y 0.8610
1048 C53 0.8610
1049 G1P 0.8610
1050 7ZL 0.8609
1051 BGP 0.8609
1052 HBI 0.8605
1053 L46 0.8604
1054 RB5 0.8602
1055 LAO 0.8602
1056 HNT 0.8601
1057 8GC 0.8600
1058 DEW 0.8600
1059 ABF 0.8599
1060 9PY 0.8599
1061 2KU 0.8598
1062 S3C 0.8598
1063 6E8 0.8597
1064 EV2 0.8597
1065 7D2 0.8596
1066 GI3 0.8596
1067 2WU 0.8595
1068 CTS 0.8595
1069 14J 0.8594
1070 TQU 0.8593
1071 YSO 0.8593
1072 MFZ 0.8591
1073 E1K 0.8589
1074 53C 0.8589
1075 1X7 0.8588
1076 7A2 0.8587
1077 6F0 0.8586
1078 3BZ 0.8585
1079 PRY 0.8585
1080 X09 0.8584
1081 4NS 0.8584
1082 DIE 0.8583
1083 FBU 0.8582
1084 Q02 0.8580
1085 3AL 0.8578
1086 5GV 0.8578
1087 2GQ 0.8577
1088 JXW 0.8572
1089 3BU 0.8571
1090 B23 0.8569
1091 M5N 0.8568
1092 F6P 0.8565
1093 X0T 0.8561
1094 GT0 0.8559
1095 O2Y 0.8559
1096 NQH 0.8559
1097 CTE 0.8558
1098 VM1 0.8557
1099 RHU 0.8554
1100 6M1 0.8554
1101 657 0.8554
1102 IOP 0.8550
1103 2D3 0.8545
1104 AZM 0.8542
1105 27K 0.8540
1106 1AL 0.8540
1107 92G 0.8540
1108 977 0.8538
1109 S98 0.8535
1110 FBW 0.8534
1111 LZ2 0.8528
1112 N9J 0.8526
1113 PRL 0.8522
1114 XQK 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5HCT; Ligand: 61P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5hct.bio1) has 80 residues
No: Leader PDB Ligand Sequence Similarity
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