Receptor
PDB id Resolution Class Description Source Keywords
1TC6 1.87 Å NON-ENZYME: FOLDING LIGAND INDUCED CONFORMATIONAL SHIFT IN THE N-TERMINAL DOMAIN OPEN CONFORMATION ADP-COMPLEX CANIS LUPUS FAMILIARIS GRP94 HSP90 ADP BERGERAT CHAPERONE ENDOPLASMIC RETICULU
Ref.: LIGAND-INDUCED CONFORMATIONAL SHIFT IN THE N-TERMIN OF GRP94, AN HSP90 CHAPERONE. J.BIOL.CHEM. V. 279 46162 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:301;
B:601;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:501;
B:802;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
PG4 A:401;
A:402;
A:403;
B:701;
B:702;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GFD 2.3 Å NON-ENZYME: FOLDING GRP94 IN COMPLEX WITH THE NOVEL HSP90 INHIBITOR RADAMIDE CANIS LUPUS FAMILIARIS GRP94 HSP82 HSP90 HTPG CHAPERONE LIGAND RADICICOL GELDANAMYCIN RADESTER RADAMIDE
Ref.: DIFFERENT POSES FOR LIGAND AND CHAPERONE IN INHIBIT HSP90 AND GRP94: IMPLICATIONS FOR PARALOG-SPECIFIC DESIGN. J.MOL.BIOL. V. 388 1033 2009
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 1TC0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 1U2O - NEC C12 H16 N6 O4 CCNC(=O)[C....
3 1TC6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1U0Z - RDC C18 H17 Cl O6 C[C@@H]1C[....
5 1TBW - AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 6ASQ - VC4 C22 H20 Cl N O4 COC(=O)c1c....
7 1YT0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 2EXL - GDM C29 H40 N2 O9 C[C@H]1C[C....
9 2GFD Kd = 0.87 uM RDA C18 H18 Cl N O8 COc1cc(c(c....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 1TC0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 1U2O - NEC C12 H16 N6 O4 CCNC(=O)[C....
3 1TC6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1U0Z - RDC C18 H17 Cl O6 C[C@@H]1C[....
5 1TBW - AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 6ASQ - VC4 C22 H20 Cl N O4 COC(=O)c1c....
7 1YT0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 2EXL - GDM C29 H40 N2 O9 C[C@H]1C[C....
9 2GFD Kd = 0.87 uM RDA C18 H18 Cl N O8 COc1cc(c(c....
10 1QYE - CDY C10 H12 Cl N5 O2 c1nc2c(nc(....
11 6CYI Kd = 9.1 uM N5O C12 H16 N6 O5 c1nc(c2c(n....
12 1QY8 - RDI C18 H23 Cl O6 C[C@@H]1C[....
13 6D28 Kd = 200 nM NEC C12 H16 N6 O4 CCNC(=O)[C....
50% Homology Family (276)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6GQU - CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 1UY7 ic50 > 200 uM PU4 C17 H21 N5 O CCCCn1c(nc....
3 3B24 Kd = 0.042 mM B2J C6 H10 N4 S CCSc1nc(nc....
4 3EKR Ki = 2.8 uM PY9 C18 H19 N O3 Cc1ccccc1[....
5 5J9X Kd = 0.00000145 M 6GC C20 H21 F N4 O4 CCCCN(C)C(....
6 3R4N Ki = 0.13 uM FU5 C15 H15 Cl F3 N3 O Cc1cc(nc(n....
7 2YEG - XQG C6 H6 N4 S CSc1c2c([n....
8 3OWD - MEY C24 H18 Cl N3 O5 S c1ccc2c(c1....
9 5LNY Kd = 42 nM 70K C25 H29 N5 O4 CN(c1ccc(c....
10 3BMY ic50 = 0.03 uM CXZ C19 H20 Cl N3 O4 c1cc2c(cc1....
11 3VHD Kd = 0.52 nM VHE C19 H23 N5 O2 S Cc1cc(c2cc....
12 2XJJ Kd = 0.31 uM L81 C19 H20 N2 O2 CC1(CNc2c1....
13 2YE3 - VXX C9 H10 O4 COc1cc(ccc....
14 6GPH - A12 C11 H17 N5 O9 P2 c1nc(c2c(n....
15 6EL5 Kd = 0.133 uM PU1 C20 H21 Cl F N5 O3 COc1cc(c(c....
16 1UY8 ic50 = 75 uM PU5 C17 H21 N5 O CCCCn1c(nc....
17 3T10 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
18 4CWR Ki = 0.005 uM HAJ C17 H12 F N5 O2 c1cc2c(c(c....
19 3EKO Ki = 0.2 uM PYU C11 H9 N O4 c1ccn(c1)C....
20 4XIP Ki = 235 nM 40W C18 H20 N2 O2 Cc1cn(c2c1....
21 1UYE ic50 > 200 uM PU9 C20 H22 Cl N5 O3 COc1cc(c(c....
22 4O07 Ki = 0.042 uM FGH C27 H35 N3 O2 CC(C)Cc1cc....
23 2JJC - LGA C4 H5 N3 c1cnc(nc1)....
24 2YI5 Kd = 39 nM YI5 C16 H13 Cl N2 O4 S COc1ccc(cc....
25 1UY9 ic50 = 15.3 uM PU6 C17 H19 N5 O2 CCCCn1c(nc....
26 6EI5 Kd = 3.83 nM B5Q C25 H23 N5 O CNCc1ccccc....
27 3OWB - BSM C19 H18 Cl N3 O4 CCNC(=O)c1....
28 2YKB - YKB C23 H19 N5 O2 c1ccc2c(c1....
29 2QG2 Ki = 4 uM A91 C17 H15 N5 O2 Cc1cc(nc(n....
30 4B7P Kd = 0.346 nM 9UN C22 H22 N4 O7 CN1CCC(CC1....
31 4EFT ic50 = 85 uM EFT C16 H19 N3 O c1cc2c(cc1....
32 2WI6 ic50 = 0.23 uM ZZ6 C15 H12 Cl2 N4 O S CCNC(=O)c1....
33 2YEH - 2KU C9 H13 N5 O COCCCNc1c2....
34 6GR5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 4L94 - S46 C12 H16 N2 O2 CN1CCN(CC1....
36 6GPP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 2YKE - YKE C29 H19 N5 O c1cc(c2ccc....
38 4O04 Ki = 0.69 uM 2Q8 C21 H25 N3 O2 CC1(Cc2c(c....
39 2YE5 - 2A7 C7 H8 O3 COc1cc(cc(....
40 3FT5 ic50 = 15 uM MO8 C8 H11 N3 S Cc1c2c(nc(....
41 2XDU - LGA C4 H5 N3 c1cnc(nc1)....
42 2YEB - 2K4 C7 H6 N2 O c1cc2cn[nH....
43 3B26 Kd = 0.23 uM B2L C17 H15 N3 O Cc1cc(nc(n....
44 4XIQ Ki = 86 nM 40Y C20 H22 N2 O3 Cc1c2n(c3c....
45 3T0Z - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
46 6GQS - A12 C11 H17 N5 O9 P2 c1nc(c2c(n....
47 4L8Z ic50 = 18.7 uM RL1 C22 H17 Br N4 O3 c1ccc2c(c1....
48 2YK9 - YK9 C19 H11 N3 O c1ccc2c(c1....
49 6EYA Kd = 33 nM C4K C24 H21 N3 O4 Cc1cccc(c1....
50 5M4H - 7FX C14 H12 F3 N3 O3 c1cc(c(cc1....
51 4AWQ ic50 = 479 nM 592 C29 H32 N4 O3 Cc1c(cccc1....
52 2VCJ ic50 = 0.021 uM 2EQ C23 H24 Cl N3 O5 CCNC(=O)c1....
53 3RLR Ki = 0.03 uM 3RR C16 H12 Cl2 N4 O Cc1c(c2c(n....
54 2XDX Kd = 0.35 uM WOE C11 H10 Cl N3 O COc1ccccc1....
55 6ELO Kd = 0.514 uM BAW C18 H17 F N2 O2 CCc1cc(c(c....
56 3HEK Ki = 3.5 nM BD0 C22 H24 Cl F2 N2 O3 c1cc(ccc1C....
57 2XHT Kd = 1.1 uM C0Y C15 H21 N O3 CC(C)(C)c1....
58 2YEE - 2EC C7 H9 N5 CCn1cnc2c1....
59 3K98 Ki < 1 nM 1RC C18 H17 Cl N2 O4 CCNC(=O)[C....
60 3INX ic50 = 0.022 uM JZC C24 H30 N2 O6 c1c(cc(c2c....
61 2WI3 ic50 = 350 uM ZZ3 C5 H8 N4 S Cc1nc(nc(n....
62 3B27 Kd = 6.9 uM B2T C10 H9 Cl N4 S CSc1nc(nc(....
63 4BQG - 50Q C12 H8 Cl2 O3 c1cc(c(cc1....
64 1UYD ic50 > 200 uM PU8 C19 H24 Cl N5 O3 CCCCn1c(nc....
65 2FWZ ic50 = 50 nM H71 C18 H21 I N6 O2 S CC(C)NCCCn....
66 2BYI ic50 = 0.461 uM 2DD C17 H15 Cl N4 O5 S c1cc(ccc1C....
67 4XIT Ki = 41 nM 40Z C25 H26 Cl N3 O3 Cc1c2n(c3c....
68 3VHA Kd = 40 nM VHA C21 H21 N3 O2 S Cc1ccc2cc1....
69 5J8U Kd = 0.00000145 M 6DL C14 H9 Br F N3 O3 c1ccc(c(c1....
70 5J6N - 6FF C18 H19 F N4 O5 S CCCN(C)S(=....
71 5FNC Kd = 77 uM IEE C12 H13 Cl N4 Cc1ccc(cc1....
72 5J6M Kd = 0.00000145 M 6FJ C21 H17 F N4 O5 CN(Cc1ccco....
73 1UYG ic50 = 53.5 uM PU2 C14 H14 F N5 O2 COc1ccc(c(....
74 3D0B Kd = 0.29 uM SNX C22 H23 N3 O3 COCCNc1cc(....
75 2WI4 ic50 = 1.56 uM ZZ4 C16 H11 Cl2 N5 c1ccc(cc1)....
76 2YEJ - XQK C9 H9 N3 O3 Cc1c(c([nH....
77 4AWO ic50 = 24 nM 99B C29 H37 N5 O3 CC[C@@H](C....
78 1UYI ic50 = 4.1 uM PUZ C19 H20 F N5 O2 COc1ccc(c(....
79 1BYQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
80 1UY6 ic50 > 200 uM PU3 C19 H25 N5 O3 CCCCn1c(nc....
81 4CWF Ki = 32.4 uM H05 C12 H13 N5 CCCc1nc2cc....
82 4W7T ic50 = 0.9 uM 3JC C15 H15 N3 O Cc1c2c(nc(....
83 2XJX Kd = 0.71 nM XJX C24 H31 N3 O3 CC(C)c1cc(....
84 4AWP ic50 = 81 nM 99A C30 H33 N5 O3 Cc1cc(c(cc....
85 2XJG Kd = 0.015 uM XJG C19 H21 N O3 CC(C)c1cc(....
86 4CWT Ki = 0.179 uM IK9 C19 H17 F N6 O3 c1cc2c(cc1....
87 6CYG Kd = 68 uM N5O C12 H16 N6 O5 c1nc(c2c(n....
88 4O09 Ki = 0.02 uM 2R6 C24 H30 N2 O2 Cc1cn(c2c1....
89 2BT0 ic50 = 5.7 uM CT5 C20 H20 N2 O4 CCc1cc(c(c....
90 2QG0 Ki = 1.9 uM A94 C17 H19 N5 O4 S Cc1cc(nc(n....
91 2XK2 Kd = 10 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
92 6HHR - G5E C14 H10 F N3 O2 S c1ccc(c(c1....
93 3R91 ic50 = 0.092 uM 06H C25 H32 N4 O3 Cc1c2n(c3c....
94 2CCS ic50 = 2 uM 4BH C13 H15 Cl N4 O2 c1c(c(cc(c....
95 2YKJ - YKJ C25 H18 N6 O c1ccc2c(c1....
96 6OLX Kd = 4.15 uM KFY C19 H23 N5 O3 C/C=C/Cn1c....
97 6GPY - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
98 5OCI Kd = 9 nM 9R8 C27 H28 N4 O3 Cc1cccc(c1....
99 4FCP - 42C C7 H9 N5 CN(C)c1c2c....
100 5J2X Kd = 0.00000145 M 6DL C14 H9 Br F N3 O3 c1ccc(c(c1....
101 3WHA Kd = 0.48 nM WHA C19 H18 Cl N5 O2 S c1cc2c3c(c....
102 6GR3 - AN2 C10 H16 N6 O9 P2 c1nc(c2c(n....
103 6EY8 Kd = 1.55 uM C4T C23 H20 Cl N3 O2 CN(Cc1ccc(....
104 2YEA - 2A9 C8 H10 O3 COc1ccc(cc....
105 2YI7 Kd = 4.8 nM BZ8 C16 H13 Cl N2 O3 S CCOc1ccc(c....
106 2YE2 - XQI C9 H10 O4 COC(=O)Cc1....
107 6F1N Kd = 0.547 uM C8W C20 H19 N5 O5 S COc1ccc(cc....
108 4CWO Ki = 6.1 uM T62 C16 H13 N5 O2 c1ccc2c(c1....
109 5J8M Kd = 0.00000145 M 6DL C14 H9 Br F N3 O3 c1ccc(c(c1....
110 4U93 ic50 = 0.013 uM 990 C20 H18 F N5 O2 Cc1c2c(nc(....
111 4CWS Ki = 0.012 uM G3R C19 H18 N6 O3 c1cc2c(cc1....
112 2BYH ic50 = 0.258 uM 2D7 C18 H14 Cl N3 O4 CC(=O)c1cc....
113 4EGI ic50 = 150 uM B2J C6 H10 N4 S CCSc1nc(nc....
114 1OSF - KOS C32 H48 N4 O8 C[C@H]1C[C....
115 3K97 Ki = 10 nM 4CD C18 H18 Cl N O3 Cc1ccccc1[....
116 2YED - ADE C5 H5 N5 c1[nH]c2c(....
117 6CEO - D57 C22 H22 N2 O6 COC(=O)c1c....
118 2YKC - YKC C25 H17 N5 O c1ccc2c(c1....
119 6GPT - A12 C11 H17 N5 O9 P2 c1nc(c2c(n....
120 5VYY Kd = 0.62 uM 9QY C20 H19 Cl N2 O4 COC(=O)c1c....
121 2WI2 ic50 = 350 uM ZZ3 C5 H8 N4 S Cc1nc(nc(n....
122 6GPF - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
123 2YE7 - 2GA C8 H10 N4 S3 Cc1c(c(n[n....
124 1UYF ic50 = 30 uM PU1 C20 H21 Cl F N5 O3 COc1cc(c(c....
125 3VHC Kd = 1.3 nM VHC C22 H22 N4 O2 S Cc1cc(c2cc....
126 2YK2 - YJX C18 H14 N4 O c1ccc2c(c1....
127 5J64 Kd = 0.00000145 M 6G7 C14 H10 F N3 O3 c1ccc(c(c1....
128 2XHR Kd = 0.0048 uM C0P C16 H17 Cl3 N4 O2 c1c(c(cc(c....
129 3R92 ic50 = 0.883 uM 06J C26 H34 N4 O2 Cc1c2n(c3c....
130 2CCT ic50 = 6.3 uM 2E1 C16 H20 Cl N5 O3 CCNC(=O)c1....
131 4XIR Ki = 115 nM 40X C23 H27 Cl N2 O3 CCC[C@H]1C....
132 4CWN Ki = 2.6 uM 6LV C18 H17 N5 O2 COc1cc(cc(....
133 1YET - GDM C29 H40 N2 O9 C[C@H]1C[C....
134 3QDD ic50 = 5.1 nM 94M C14 H15 Cl N6 O Cc1cnc(c(c....
135 6GPO - CMP C10 H12 N5 O6 P c1nc(c2c(n....
136 2H55 - DZ8 C19 H22 F I N6 O2 CC(C)NCCCn....
137 1UYK ic50 = 17.1 uM PUX C17 H18 F N5 O2 CCCCn1c(nc....
138 2XDS - MT0 C9 H7 Cl N2 Cc1c2ccccc....
139 2WI1 ic50 > 4000 uM ZZ2 C8 H13 N3 O2 Cc1cc(nc(n....
140 4FCR Kd = 0.4 nM 0TM C19 H18 Cl N5 O3 S CN(C)C(=O)....
141 5FNF Kd = 700 uM TQL C12 H10 N2 O3 c1cc(cnc1)....
142 5J27 Kd = 0.00000145 M 6FF C18 H19 F N4 O5 S CCCN(C)S(=....
143 2YEC - XQ0 C8 H8 N2 O Cc1c2ccc(c....
144 4CWQ Ki = 0.088 uM W2D C17 H14 N6 O4 S c1cc2c(cc1....
145 2YE4 - 2FY C9 H10 O3 CCC(=O)c1c....
146 2BSM ic50 = 1.5 uM BSM C19 H18 Cl N3 O4 CCNC(=O)c1....
147 2YKI Kd = 0.35 nM YKI C27 H18 N6 O c1ccc2c(c1....
148 3RLQ Ki = 0.04 uM 3RQ C15 H10 Cl2 N4 O Cc1nc(c2c(....
149 3MNR - SD1 C27 H31 N3 O5 Cc1cc2c(n1....
150 3K99 Ki = 60 nM PFT C15 H13 N O3 c1ccc2c(c1....
151 5LNZ - 70Z C25 H31 N5 O4 CCCCN(C)C(....
152 5J20 Kd = 0.00000145 M 6FJ C21 H17 F N4 O5 CN(Cc1ccco....
153 6GQR - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
154 2YEF - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
155 3B28 Kd = 0.0034 uM B2X C16 H13 Cl N4 O S CSc1nc(nc(....
156 3R4P Ki = 0.011 uM FU7 C21 H21 Cl2 F2 N7 O2 CC(CNC(=O)....
157 4NH8 Ki = 3 nM 2LC C22 H26 F N3 O3 Cc1cn(c2c1....
158 6ELN Kd = 0.9 uM P4A C17 H16 N2 O3 Cc1c(c(n[n....
159 2XDK Kd = 250 uM XDK C9 H8 N4 c1cc(cnc1)....
160 2VCI ic50 = 0.021 uM 2GJ C26 H31 N3 O5 CCNC(=O)c1....
161 6CYH Kd = 708 uM N5A C12 H17 N7 O4 c1nc(c2c(n....
162 5M4E - 7F9 C18 H20 N2 O5 CCNC(=O)CN....
163 3QTF ic50 = 0.11 uM 05S C24 H32 N4 O2 Cc1c2n(c3c....
164 6EYB Kd = 4.22 uM C3Z C23 H18 N4 O c1ccc(cc1)....
165 2WI5 ic50 = 0.9 uM ZZ5 C17 H15 N5 O2 S CCOc1ccc(c....
166 2XAB Kd = 0.54 nM VHD C18 H19 N O3 CC(C)c1cc(....
167 2UWD Kd = 4.5 nM 2GG C19 H17 Cl N2 O5 CCNC(=O)c1....
168 1UYH ic50 = 14.3 uM PU0 C18 H22 F N5 O2 CCCCn1c(nc....
169 6GP8 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
170 2XDL Kd = 790 uM 2DL C12 H17 N O3 CCN(CC)C(=....
171 5J82 Kd = 0.00000145 M 6GV C18 H19 F N4 O5 S CC(C)N(C)S....
172 4L91 - X29 C12 H7 Br Cl N3 O2 c1cc2nnc(n....
173 6GR1 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
174 6GQ6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
175 3RKZ ic50 = 0.083 uM 06T C28 H39 N5 O3 Cc1c2n(c3c....
176 5LO0 - 70N C28 H26 F2 N6 O3 S CN1CCN(CC1....
177 4EEH ic50 = 45 uM HH6 C13 H10 N2 O2 c1cc(ccc1c....
178 2YE8 - 2D3 C9 H9 N3 O3 Cc1c(c(n[n....
179 2YI6 - 6QM C18 H18 N2 O3 S CCc1cc(c(c....
180 2YJX - YJX C18 H14 N4 O c1ccc2c(c1....
181 4CWP Ki = 0.17 uM TV2 C17 H13 N5 O2 c1ccc2c(c1....
182 4NH7 Ki = 4 nM HIE C23 H27 F3 N4 O3 CC1(Cc2c(c....
183 6EY9 Kd = 1.24 uM C4N C24 H22 Cl N3 O2 Cc1cccc(c1....
184 4EFU ic50 = 0.25 uM EFU C24 H23 N3 O2 Cc1cccc(c1....
185 5NYH Kd = 18.7 nM 9EK C24 H27 N5 O4 CN(c1ccc(c....
186 2YJW - YJW C16 H13 N O3 Cc1c(c(no1....
187 4O05 Ki = 0.037 uM 2Q9 C26 H34 N4 O2 CC(C)Nc1cc....
188 3B25 Kd = 0.86 uM B2K C12 H13 N3 O2 S Cc1ccc(cc1....
189 3OW6 - MEX C13 H10 N2 O3 c1ccc2c(c1....
190 3FT8 ic50 = 0.03 uM MOJ C20 H18 F N5 O Cc1c2c(nc(....
191 4EGH ic50 = 550 uM 0OY C11 H13 N O3 c1cc(ccc1C....
192 5ZR3 ic50 = 98 nM 9J0 C24 H24 N8 O Cc1cc(ccc1....
193 3INW ic50 = 0.039 uM JZB C24 H29 Cl N2 O6 c1c(c2c(c(....
194 3HHU ic50 = 41 nM 819 C21 H24 N4 O4 S CCOC(=O)NC....
195 6GPR - CMP C10 H12 N5 O6 P c1nc(c2c(n....
196 6N8X Kd = 2 uM KFY C19 H23 N5 O3 C/C=C/Cn1c....
197 4BQJ - XKL C18 H15 N3 O7 CCNC(=O)c1....
198 4O0B Ki = 0.005 uM 2QA C25 H30 N2 O2 Cc1cn(c2c1....
199 4JQL ic50 = 1 uM VJ6 C28 H41 N3 O9 C[C@H]1/C=....
200 1UYC ic50 = 41 uM PU7 C18 H23 N5 O2 CCCCn1c(nc....
201 2YE9 - 2D4 C20 H15 N O4 S2 c1ccc2c(c1....
202 2FWY ic50 = 200 nM H64 C18 H21 Br N6 O2 S CC(C)NCCCn....
203 3R4M Ki = 1.2 uM WOE C11 H10 Cl N3 O COc1ccccc1....
204 6ELP Kd = 0.236 uM BA8 C22 H18 Cl N3 O2 c1ccc(c(c1....
205 5J86 Kd = 0.00000145 M 6GW C22 H20 N4 O4 S Cc1ccccc1N....
206 4EGK ic50 = 40 nM RDC C18 H17 Cl O6 C[C@@H]1C[....
207 5FND Kd = 320 uM IQ5 C10 H11 N3 O S Cc1cc2c(cc....
208 3BM9 ic50 = 0.19 uM BXZ C13 H8 Br N O4 c1cc2c(cc1....
209 4FCQ Kd = 0.156 uM 2N6 C16 H14 N4 S Cc1ccc(c(c....
210 5GGZ ic50 = 0.056 uM 6TN C19 H23 N3 O4 CCOc1ncc2c....
211 1TC0 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
212 1U2O - NEC C12 H16 N6 O4 CCNC(=O)[C....
213 1TC6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
214 1U0Z - RDC C18 H17 Cl O6 C[C@@H]1C[....
215 1TBW - AMP C10 H14 N5 O7 P c1nc(c2c(n....
216 6ASQ - VC4 C22 H20 Cl N O4 COC(=O)c1c....
217 1YT0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
218 2EXL - GDM C29 H40 N2 O9 C[C@H]1C[C....
219 2GFD Kd = 0.87 uM RDA C18 H18 Cl N O8 COc1cc(c(c....
220 2YI0 Kd = 7.5 nM YI0 C15 H11 Cl N2 O3 S COc1ccc(cc....
221 2QFO Ki = 18 uM A13 C6 H6 F3 N3 Cc1cc(nc(n....
222 2WI7 ic50 = 0.058 uM 2KL C21 H23 Cl2 N5 O2 S CCNC(=O)c1....
223 2YEI - XQK C9 H9 N3 O3 Cc1c(c([nH....
224 5J6L Kd = 0.00000145 M 6GC C20 H21 F N4 O4 CCCCN(C)C(....
225 5ODX Kd = 195 nM 9RZ C26 H31 N5 O5 CN(c1ccc(c....
226 3RLP Kd = 0.084 uM 3RP C12 H11 Cl2 N3 O Cc1cc(nc(n....
227 2IOR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
228 4XDM - GDM C29 H40 N2 O9 C[C@H]1C[C....
229 4XC0 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
230 4XCJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
231 4XCL - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
232 4XD8 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
233 1QYE - CDY C10 H12 Cl N5 O2 c1nc2c(nc(....
234 6CYI Kd = 9.1 uM N5O C12 H16 N6 O5 c1nc(c2c(n....
235 1QY8 - RDI C18 H23 Cl O6 C[C@@H]1C[....
236 6D28 Kd = 200 nM NEC C12 H16 N6 O4 CCNC(=O)[C....
237 6N8Y Kd = 4.2 uM KFY C19 H23 N5 O3 C/C=C/Cn1c....
238 3NMQ - 7PP C21 H24 Cl N5 O2 Cc1cnc(c(c....
239 5UCJ Kd = 0.44 uM KU3 C19 H17 F N2 O3 CC(C)c1cc(....
240 1UYM - PU3 C19 H25 N5 O3 CCCCn1c(nc....
241 5UC4 Kd = 0.35 uM 83S C19 H19 N O3 CC(C)c1cc(....
242 2BRC ic50 = 7.1 uM CT5 C20 H20 N2 O4 CCc1cc(c(c....
243 4CE3 - L4V C18 H22 Cl N O4 CN1CCC/C=C....
244 2VW5 Ki = 3 nM BC6 C28 H42 N2 O6 C[C@H]1CCC....
245 4ASA - 59C C32 H45 N3 O8 C[C@H]1C[C....
246 1BGQ Kd = 2.7 nM RDC C18 H17 Cl O6 C[C@@H]1C[....
247 2XX2 - 13C C17 H20 Cl N O4 c1c(c2c(c(....
248 2WEP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
249 2WER Kd = 90 nM RDC C18 H17 Cl O6 C[C@@H]1C[....
250 2YGA Kd = 24.5 uM GDM C29 H40 N2 O9 C[C@H]1C[C....
251 2FXS Kd = 0.52 uM RDA C18 H18 Cl N O8 COc1cc(c(c....
252 2XX4 - 13I C20 H26 Cl N O6 CCO[C@H]([....
253 1AM1 Kd = 132 mM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
254 2XD6 ic50 = 0.011 uM XD6 C18 H19 Cl O6 c1c(c2c(c(....
255 2CGF Kd = 0.39 uM P2N C17 H19 Cl O5 c1c(c2c(c(....
256 1AMW Kd = 29 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
257 4ASG - 814 C35 H44 N2 O9 C[C@H]1C[C....
258 1A4H - GDM C29 H40 N2 O9 C[C@H]1C[C....
259 4CE2 - BO5 C19 H24 Cl N O4 CN1CC/C=C/....
260 2BRE ic50 < 1 uM KJ2 C18 H18 Cl N3 O3 c1cc(ccc1c....
261 2IWX Kd = 0.21 uM M1S C18 H21 Cl O5 c1c(c2c(c(....
262 2XX5 - 13N C25 H27 Cl N2 O5 c1ccc(cc1)....
263 2YGF Kd = 12 uM GDM C29 H40 N2 O9 C[C@H]1C[C....
264 2VWC Ki = 0.24 uM BC2 C30 H42 N2 O8 C[C@H]1C[C....
265 4CE1 - 7FK C20 H26 Cl N O4 CN1CC/C=C/....
266 2WEQ Kd = 1.27 uM GDM C29 H40 N2 O9 C[C@H]1C[C....
267 2YGE Kd = 24.5 uM GDM C29 H40 N2 O9 C[C@H]1C[C....
268 5F5R - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
269 6CJS - 2GJ C26 H31 N3 O5 CCNC(=O)c1....
270 6CJL - RDC C18 H17 Cl O6 C[C@@H]1C[....
271 6CJR - E0G C23 H27 F3 N4 O3 CC1(Cc2c(c....
272 6CJJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
273 3K60 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
274 1YC3 Kd = 0.68 uM 4BC C19 H16 N2 O6 CCc1cc(c(c....
275 1YC4 Kd = 0.28 uM 43P C14 H14 N4 O2 CCc1cc(c(c....
276 1YC1 Kd = 0.68 uM 4BC C19 H16 N2 O6 CCc1cc(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 486
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 AQP 0.887324 1
6 5FA 0.887324 1
7 B4P 0.884058 0.971831
8 AP5 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AT4 0.84507 0.958904
11 AN2 0.84507 0.985915
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 AMP 0.823529 0.971429
15 A 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 AR6 0.810811 0.971831
19 APR 0.810811 0.971831
20 ANP 0.802632 0.972222
21 AD9 0.8 0.972222
22 AGS 0.8 0.945946
23 SAP 0.8 0.945946
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 T99 0.779221 0.958904
27 TAT 0.779221 0.958904
28 KG4 0.773333 0.945205
29 50T 0.773333 0.958333
30 45A 0.763889 0.917808
31 ABM 0.763889 0.917808
32 APC 0.763158 0.958904
33 PRX 0.763158 0.893333
34 HQG 0.7625 0.985915
35 ATF 0.759494 0.958904
36 A22 0.753086 0.985915
37 ADP MG 0.746667 0.943662
38 A12 0.743243 0.958904
39 AP2 0.743243 0.958904
40 SRA 0.736111 0.918919
41 ADQ 0.73494 0.945205
42 25L 0.732558 0.985915
43 8LE 0.725 0.894737
44 5AL 0.725 0.931507
45 2A5 0.717949 0.918919
46 AU1 0.714286 0.972222
47 A1R 0.714286 0.907895
48 A3R 0.714286 0.907895
49 APC MG 0.708861 0.917808
50 ATR 0.708861 0.971429
51 PAP 0.708861 0.985714
52 ATP MG 0.708861 0.943662
53 ADP PO3 0.708861 0.943662
54 8LH 0.707317 0.906667
55 SRP 0.707317 0.906667
56 7D3 0.706667 0.905405
57 25A 0.702381 0.971831
58 OZV 0.702381 0.971831
59 OAD 0.697674 0.945205
60 9X8 0.697674 0.92
61 8LQ 0.690476 0.906667
62 RBY 0.6875 0.932432
63 ADV 0.6875 0.932432
64 00A 0.686047 0.883117
65 5SV 0.682353 0.848101
66 OOB 0.682353 0.931507
67 8QN 0.682353 0.931507
68 BIS 0.681818 0.933333
69 3OD 0.681818 0.945205
70 ALF ADP 0.674699 0.87013
71 ADP ALF 0.674699 0.87013
72 AMO 0.674419 0.932432
73 PAJ 0.674419 0.884615
74 4AD 0.674419 0.92
75 GAP 0.670732 0.893333
76 MAP 0.670588 0.945946
77 AHX 0.666667 0.896104
78 VO4 ADP 0.666667 0.931507
79 ADP VO4 0.666667 0.931507
80 DLL 0.666667 0.931507
81 PTJ 0.662921 0.896104
82 3UK 0.659091 0.918919
83 SON 0.658228 0.932432
84 LMS 0.653333 0.82716
85 PR8 0.651685 0.85
86 LAD 0.651685 0.860759
87 B5V 0.651685 0.906667
88 WAQ 0.651685 0.883117
89 7D4 0.65 0.905405
90 ITT 0.65 0.943662
91 G5P 0.648936 0.921053
92 XYA 0.647059 0.84507
93 ADN 0.647059 0.84507
94 RAB 0.647059 0.84507
95 1ZZ 0.644444 0.839506
96 ME8 0.644444 0.839506
97 FYA 0.644444 0.905405
98 TXA 0.644444 0.932432
99 NB8 0.644444 0.896104
100 6AD 0.642857 0.909091
101 ADP BMA 0.640449 0.918919
102 G3A 0.638298 0.921053
103 DAL AMP 0.632184 0.905405
104 AFH 0.631579 0.884615
105 9SN 0.630435 0.871795
106 GTA 0.625 0.886076
107 9ZA 0.625 0.907895
108 DQV 0.625 0.958333
109 9ZD 0.625 0.907895
110 FA5 0.623656 0.906667
111 B5M 0.623656 0.894737
112 YAP 0.623656 0.894737
113 B5Y 0.623656 0.894737
114 UP5 0.622449 0.92
115 NO7 0.62069 0.932432
116 JSQ 0.619048 0.945946
117 HFD 0.619048 0.945946
118 XAH 0.617021 0.839506
119 AV2 0.616279 0.917808
120 AOC 0.615385 0.821918
121 48N 0.612245 0.896104
122 4UV 0.610526 0.894737
123 TXD 0.606061 0.907895
124 DND 0.606061 0.932432
125 NAX 0.606061 0.873418
126 6V0 0.606061 0.896104
127 NXX 0.606061 0.932432
128 NAI 0.606061 0.907895
129 5N5 0.605634 0.819444
130 5AS 0.604938 0.77907
131 A4P 0.60396 0.843373
132 DAT 0.60241 0.905405
133 A2R 0.602273 0.985915
134 OMR 0.6 0.851852
135 TXE 0.6 0.907895
136 GA7 0.597938 0.906667
137 4UU 0.597938 0.894737
138 A A 0.597826 0.944444
139 A4D 0.597222 0.819444
140 5CD 0.597222 0.805556
141 4TC 0.594059 0.896104
142 AP0 0.594059 0.896104
143 A3P 0.592593 0.971429
144 T5A 0.592233 0.841463
145 139 0.592233 0.873418
146 7D5 0.592105 0.878378
147 ATP A 0.589474 0.930556
148 ATP A A A 0.589474 0.930556
149 LAQ 0.585859 0.839506
150 MYR AMP 0.585106 0.817073
151 H1Q 0.583333 0.90411
152 F2R 0.580952 0.864198
153 YLP 0.58 0.819277
154 UPA 0.578431 0.907895
155 7DD 0.578313 0.985714
156 3AM 0.576923 0.929577
157 ADJ 0.576923 0.851852
158 NAD 0.575472 0.931507
159 COD 0.575472 0.811765
160 3AT 0.574713 0.971831
161 JB6 0.574468 0.883117
162 4UW 0.574257 0.860759
163 EP4 0.573333 0.753247
164 A2P 0.573171 0.957143
165 CNA 0.571429 0.932432
166 TYM 0.568627 0.906667
167 PPS 0.568182 0.873418
168 M2T 0.565789 0.734177
169 DTA 0.565789 0.786667
170 AR6 AR6 0.565657 0.917808
171 80F 0.564815 0.841463
172 A3D 0.564815 0.918919
173 3DH 0.564103 0.773333
174 G5A 0.563218 0.77907
175 YLB 0.563107 0.819277
176 YLC 0.563107 0.839506
177 AMP DBH 0.561224 0.893333
178 TYR AMP 0.561224 0.87013
179 MTA 0.558442 0.773333
180 DTP 0.556818 0.905405
181 AHZ 0.554455 0.817073
182 NA7 0.553191 0.958904
183 IOT 0.552381 0.831325
184 7MD 0.55 0.8625
185 ARG AMP 0.55 0.829268
186 ZAS 0.55 0.766234
187 IMO 0.548781 0.929577
188 YLA 0.54717 0.819277
189 NAE 0.544643 0.894737
190 TAD 0.544554 0.884615
191 A5A 0.544444 0.807229
192 2AM 0.544304 0.943662
193 TSB 0.543478 0.819277
194 6RE 0.54321 0.759494
195 6MZ 0.542169 0.930556
196 AYB 0.542056 0.809524
197 NAQ 0.539823 0.871795
198 V3L 0.539326 0.971831
199 SSA 0.538462 0.8
200 AF3 ADP 3PG 0.538462 0.8375
201 ZID 0.535088 0.918919
202 LPA AMP 0.533981 0.817073
203 VMS 0.532609 0.788235
204 52H 0.532609 0.77907
205 54H 0.532609 0.788235
206 BTX 0.53211 0.841463
207 A3N 0.53012 0.786667
208 J7C 0.53012 0.769231
209 5X8 0.528736 0.763158
210 BT5 0.527273 0.831325
211 8X1 0.526882 0.752809
212 53H 0.526882 0.77907
213 5CA 0.526882 0.8
214 ARU 0.526316 0.860759
215 EAD 0.525862 0.873418
216 RGT 0.525253 0.958904
217 OVE 0.52439 0.905405
218 S4M 0.52381 0.666667
219 7DT 0.522727 0.985714
220 DDS 0.522222 0.878378
221 GDP 0.522222 0.92
222 AVV 0.521277 0.896104
223 NDE 0.521008 0.932432
224 7MC 0.518868 0.841463
225 DSH 0.518072 0.725
226 MAO 0.517647 0.759036
227 DSZ 0.515789 0.8
228 LSS 0.515789 0.761364
229 NSS 0.515789 0.8
230 P5A 0.515464 0.744444
231 DZD 0.513514 0.884615
232 NVA LMS 0.510417 0.752809
233 9K8 0.510204 0.714286
234 12D 0.509615 0.785714
235 M24 0.508772 0.85
236 YLY 0.508772 0.809524
237 P1H 0.508333 0.851852
238 5AD 0.506849 0.746479
239 GJV 0.505882 0.75
240 LEU LMS 0.505155 0.752809
241 AMP NAD 0.504505 0.905405
242 G A A A 0.504505 0.871795
243 4TA 0.504505 0.807229
244 NAJ PZO 0.504425 0.848101
245 GSU 0.5 0.77907
246 128 0.5 0.776471
247 KAA 0.5 0.752809
248 A3G 0.5 0.8
249 NDC 0.5 0.871795
250 7D7 0.5 0.743243
251 71V 0.5 0.907895
252 N0B 0.495726 0.819277
253 NJP 0.495495 0.945946
254 ODP 0.495495 0.909091
255 2SA 0.494624 0.932432
256 6C6 0.494505 0.881579
257 SFG 0.494382 0.75
258 0WD 0.491071 0.921053
259 B1U 0.490196 0.736264
260 YSA 0.490196 0.77907
261 LQJ 0.490196 0.917808
262 PO4 PO4 A A A A PO4 0.489796 0.902778
263 SAM 0.48913 0.690476
264 6IA 0.48913 0.8375
265 A7D 0.488636 0.776316
266 6FA 0.488 0.841463
267 FB0 0.487805 0.804598
268 NAJ PYZ 0.487179 0.807229
269 J4G 0.484848 0.92
270 IDP 0.483516 0.918919
271 A5D 0.483516 0.786667
272 SA8 0.483516 0.707317
273 PGS 0.483146 0.883117
274 MHZ 0.483146 0.697674
275 NEC 0.482353 0.746667
276 DA 0.482353 0.878378
277 D5M 0.482353 0.878378
278 NIA 0.481928 0.822785
279 Y3J 0.480519 0.726027
280 8PZ 0.480392 0.8
281 FAS 0.480315 0.851852
282 FAD 0.480315 0.851852
283 FDA 0.48 0.833333
284 N6P 0.479592 0.915493
285 GGZ 0.479167 0.825
286 SAI 0.478261 0.734177
287 U A 0.478261 0.907895
288 SAH 0.478261 0.74359
289 A G 0.477876 0.883117
290 NPW 0.477477 0.886076
291 NDP 0.477477 0.921053
292 AAM 0.476744 0.971429
293 AMZ 0.47561 0.916667
294 C2R 0.47561 0.90411
295 A A A 0.474747 0.905405
296 U A G G 0.473684 0.883117
297 SMM 0.473684 0.686047
298 GTP 0.473684 0.92
299 NZQ 0.473214 0.909091
300 TXP 0.473214 0.921053
301 A3S 0.47191 0.810811
302 SFD 0.46875 0.734043
303 AIR 0.468354 0.901408
304 EEM 0.468085 0.690476
305 AAT 0.468085 0.707317
306 7C5 0.466667 0.818182
307 J7V 0.466667 0.833333
308 Z5A 0.466667 0.77907
309 62F 0.465649 0.8625
310 N5O 0.465116 0.763158
311 HDV 0.463158 0.893333
312 KOY 0.462963 0.802632
313 FAY 0.462121 0.8625
314 ETB 0.461538 0.833333
315 A3T 0.461538 0.821918
316 DCA 0.461538 0.823529
317 A6D 0.46 0.722892
318 A U 0.459459 0.87013
319 6K6 0.459184 0.930556
320 GEK 0.459184 0.7375
321 RFL 0.458647 0.821429
322 S7M 0.458333 0.690476
323 NAP 0.458333 0.945205
324 4YB 0.457944 0.761364
325 N5A 0.454545 0.736842
326 WSA 0.454545 0.788235
327 TAP 0.454545 0.907895
328 FNK 0.454545 0.804598
329 0T1 0.453782 0.823529
330 COA 0.453782 0.823529
331 101 0.453488 0.878378
332 XNP 0.452174 0.873418
333 NA0 0.45082 0.932432
334 7RP 0.448276 0.928571
335 GP3 0.446809 0.921053
336 TM1 0.446602 0.77381
337 APU 0.446429 0.894737
338 PUA 0.445378 0.884615
339 V1N 0.443396 0.917808
340 7RA 0.443182 0.957747
341 COS 0.442623 0.804598
342 30N 0.442623 0.752688
343 CAO 0.442623 0.795455
344 AMX 0.442623 0.833333
345 QQY 0.44186 0.815789
346 ACK 0.44186 0.861111
347 649 0.441441 0.744444
348 0UM 0.44 0.698795
349 NHD 0.439655 0.905405
350 SCO 0.439024 0.823529
351 CMX 0.439024 0.823529
352 GCP 0.438776 0.896104
353 8BR 0.438202 0.906667
354 8Q2 0.4375 0.772727
355 GNH 0.4375 0.907895
356 3AD 0.4375 0.805556
357 NVA 2AD 0.43617 0.759494
358 62X 0.435644 0.666667
359 FCX 0.435484 0.795455
360 ACO 0.435484 0.795455
361 FAM 0.435484 0.804598
362 9JJ 0.434783 0.8625
363 9GM 0.434343 0.896104
364 GNP 0.434343 0.896104
365 NMX 0.433071 0.76087
366 MGP 0.43299 0.884615
367 26A 0.432099 0.763158
368 HAX 0.432 0.804598
369 K15 0.431373 0.682353
370 9BG 0.431034 0.896104
371 1DG 0.430894 0.921053
372 DG1 0.430894 0.921053
373 QQX 0.430233 0.805195
374 2VA 0.430108 0.8
375 S8M 0.43 0.759494
376 2MC 0.429688 0.769231
377 6G0 0.428571 0.884615
378 3KK 0.428571 0.804598
379 FYN 0.428571 0.823529
380 A C A C 0.428571 0.848101
381 P5F 0.428571 0.823529
382 KGA 0.427481 0.744681
383 7L1 0.427419 0.795455
384 FAI 0.426966 0.916667
385 AS 0.426966 0.833333
386 RMB 0.426966 0.873239
387 KGJ 0.426357 0.752688
388 1RB 0.425287 0.885714
389 KGP 0.425197 0.729167
390 OXK 0.425197 0.804598
391 CA6 0.425197 0.729167
392 MCD 0.425197 0.804598
393 SOP 0.425197 0.804598
394 COK 0.425197 0.804598
395 YZS 0.425197 0.729167
396 G1R 0.424242 0.907895
397 CC5 0.423077 0.816901
398 SXZ 0.423077 0.710843
399 F2N 0.422535 0.813953
400 EO7 0.422222 0.788235
401 ANZ 0.422018 0.8
402 CMC 0.421875 0.804598
403 1VU 0.421875 0.795455
404 CO6 0.421875 0.804598
405 ZDA 0.421053 0.864865
406 GDD 0.420561 0.884615
407 GKE 0.420561 0.884615
408 GDC 0.420561 0.884615
409 NFD 0.420168 0.883117
410 D3Y 0.42 0.789474
411 GSP 0.42 0.873418
412 MC4 0.419847 0.76087
413 3D1 0.419753 0.773333
414 3L1 0.419753 0.773333
415 FA9 0.41958 0.864198
416 5GP 0.419355 0.906667
417 G 0.419355 0.906667
418 KB1 0.419048 0.698795
419 SCD 0.418605 0.823529
420 CAJ 0.418605 0.804598
421 2BA 0.417582 0.915493
422 CMP 0.417582 0.901408
423 KFV 0.416667 0.736842
424 VRT 0.416667 0.769231
425 SO8 0.416667 0.789474
426 N01 0.416667 0.905405
427 IVC 0.415385 0.813953
428 A1S 0.415385 0.804598
429 1HE 0.415385 0.786517
430 BCO 0.415385 0.804598
431 MLC 0.415385 0.804598
432 3HC 0.415385 0.813953
433 NMN AMP PO4 0.415254 0.87013
434 2FA 0.414634 0.813333
435 MGO 0.414141 0.860759
436 3NZ 0.413462 0.782051
437 LCV 0.412214 0.721649
438 MCA 0.412214 0.795455
439 SO5 0.412214 0.721649
440 CAA 0.412214 0.813953
441 YE1 0.412214 0.813953
442 COO 0.412214 0.804598
443 GAV 0.411765 0.884615
444 PRT 0.411215 0.931507
445 JLN 0.411111 0.890411
446 P2P 0.411111 0.902778
447 OZP 0.410714 0.728395
448 ZZB 0.410256 0.77381
449 YXR 0.409091 0.729167
450 RP1 0.409091 0.842105
451 SCA 0.409091 0.804598
452 YXS 0.409091 0.729167
453 103 0.409091 0.837838
454 SP1 0.409091 0.842105
455 2CP 0.409091 0.795455
456 PAX 0.408 0.829268
457 FAD NBT 0.407143 0.75
458 2KQ 0.406015 0.786517
459 HGG 0.406015 0.804598
460 CA8 0.406015 0.729167
461 IRC 0.406015 0.813953
462 COF 0.406015 0.786517
463 1GZ 0.406015 0.795455
464 COW 0.406015 0.795455
465 3CP 0.406015 0.804598
466 BYC 0.406015 0.804598
467 G2P 0.405941 0.884615
468 U A C C 0.404959 0.858974
469 SLU 0.404959 0.770115
470 RBZ 0.404494 0.849315
471 1CZ 0.404412 0.795455
472 COA FLC 0.403226 0.790698
473 BCA 0.402985 0.795455
474 FAQ 0.402985 0.804598
475 4CA 0.402985 0.795455
476 MTP 0.402439 0.730769
477 8OD 0.402062 0.945205
478 HZ2 0.401786 0.731707
479 CO7 0.401515 0.804598
480 GMV 0.4 0.896104
481 HXC 0.4 0.786517
482 G2R 0.4 0.884615
483 HF7 0.4 0.893333
484 ENQ 0.4 0.916667
485 GRA 0.4 0.804598
486 CNV FAD 0.4 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GFD; Ligand: RDA; 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: 2gfd.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2GFD; Ligand: RDA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2gfd.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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