Receptor
PDB id Resolution Class Description Source Keywords
1TC0 2.2 Å NON-ENZYME: FOLDING LIGAND INDUCED CONFORMATIONAL SHIFTS IN THE N-TERMINAL DOMAI GRP94, OPEN CONFORMATION COMPLEXED WITH THE PHYSIOLOGICAL P CANIS LUPUS FAMILIARIS GRP94 HSP90 ATP 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
ATP A:301;
B:601;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
MG A:401;
B:702;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
PG4 A:501;
A:502;
A:503;
B:801;
B:802;
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: ATP; Similar ligands found: 455
No: Ligand ECFP6 Tc MDL keys Tc
1 HEJ 1 1
2 ATP 1 1
3 AQP 0.985507 1
4 5FA 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 SAP 0.84 0.945946
11 AGS 0.84 0.945946
12 6YZ 0.833333 0.972222
13 AT4 0.810811 0.958904
14 AN2 0.810811 0.985915
15 25L 0.809524 0.985915
16 AR6 0.802632 0.971831
17 APR 0.802632 0.971831
18 M33 0.8 0.958333
19 TAT 0.794872 0.958904
20 T99 0.794872 0.958904
21 ACQ 0.794872 0.972222
22 AD9 0.792208 0.972222
23 ACP 0.789474 0.972222
24 A 0.788732 0.971429
25 AMP 0.788732 0.971429
26 ANP 0.772152 0.972222
27 HQG 0.756098 0.985915
28 CA0 0.753247 0.945205
29 ADX 0.753247 0.873418
30 A22 0.746988 0.985915
31 KG4 0.74359 0.945205
32 50T 0.74359 0.958333
33 APC 0.734177 0.958904
34 PRX 0.734177 0.893333
35 ABM 0.733333 0.917808
36 45A 0.733333 0.917808
37 ATF 0.731707 0.958904
38 7D4 0.730769 0.905405
39 ITT 0.730769 0.943662
40 A3R 0.729412 0.907895
41 ADQ 0.729412 0.945205
42 A12 0.714286 0.958904
43 AP2 0.714286 0.958904
44 A1R 0.709302 0.907895
45 SRA 0.706667 0.918919
46 5AL 0.698795 0.931507
47 8LE 0.698795 0.894737
48 ADP MG 0.696203 0.943662
49 HFD 0.695122 0.945946
50 JSQ 0.695122 0.945946
51 9X8 0.693182 0.92
52 OAD 0.693182 0.945205
53 AU1 0.6875 0.972222
54 APC MG 0.682927 0.917808
55 8LH 0.682353 0.906667
56 SRP 0.682353 0.906667
57 G5P 0.680851 0.921053
58 OZV 0.678161 0.971831
59 25A 0.678161 0.971831
60 3OD 0.677778 0.945205
61 4AD 0.670455 0.92
62 G3A 0.670213 0.921053
63 8LQ 0.666667 0.906667
64 00A 0.662921 0.883117
65 ATP MG 0.662651 0.943662
66 ADV 0.662651 0.932432
67 ADP PO3 0.662651 0.943662
68 RBY 0.662651 0.932432
69 BIS 0.659341 0.933333
70 OOB 0.659091 0.931507
71 5SV 0.659091 0.848101
72 8QN 0.659091 0.931507
73 GTA 0.65625 0.886076
74 UP5 0.653061 0.92
75 AMO 0.651685 0.932432
76 PAJ 0.651685 0.884615
77 2A5 0.650602 0.918919
78 MAP 0.647727 0.945946
79 3AT 0.647059 0.971831
80 DLL 0.644444 0.931507
81 AHX 0.644444 0.896104
82 PAP 0.642857 0.985714
83 ATR 0.642857 0.971429
84 PTJ 0.641304 0.896104
85 7D3 0.6375 0.905405
86 3UK 0.637363 0.918919
87 SON 0.634146 0.932432
88 A4P 0.633663 0.843373
89 ALF ADP 0.632184 0.87013
90 ADP ALF 0.632184 0.87013
91 LAD 0.630435 0.860759
92 PR8 0.630435 0.85
93 B5V 0.630435 0.906667
94 WAQ 0.630435 0.883117
95 AFH 0.628866 0.884615
96 LMS 0.628205 0.82716
97 DTP 0.627907 0.905405
98 GAP 0.627907 0.893333
99 VO4 ADP 0.625 0.931507
100 ADP VO4 0.625 0.931507
101 FYA 0.623656 0.905405
102 ME8 0.623656 0.839506
103 NB8 0.623656 0.896104
104 TXA 0.623656 0.932432
105 1ZZ 0.623656 0.839506
106 DQV 0.622449 0.958333
107 T5A 0.621359 0.841463
108 ADN 0.619718 0.84507
109 XYA 0.619718 0.84507
110 RAB 0.619718 0.84507
111 DAL AMP 0.611111 0.905405
112 9SN 0.610526 0.871795
113 48N 0.61 0.896104
114 AP0 0.607843 0.896104
115 9ZA 0.604396 0.907895
116 9ZD 0.604396 0.907895
117 B5Y 0.604167 0.894737
118 B5M 0.604167 0.894737
119 YAP 0.604167 0.894737
120 FA5 0.604167 0.906667
121 TXD 0.60396 0.907895
122 6V0 0.60396 0.896104
123 NXX 0.60396 0.932432
124 DND 0.60396 0.932432
125 NAI 0.60396 0.907895
126 NAX 0.60396 0.873418
127 ADP BMA 0.602151 0.918919
128 A2R 0.6 0.985915
129 OMR 0.598039 0.851852
130 TXE 0.598039 0.907895
131 XAH 0.597938 0.839506
132 7DT 0.593023 0.985714
133 AOC 0.592593 0.821918
134 4UV 0.591837 0.894737
135 DDS 0.590909 0.878378
136 139 0.590476 0.873418
137 CNA 0.584906 0.932432
138 6AD 0.58427 0.909091
139 5AS 0.583333 0.77907
140 5N5 0.581081 0.819444
141 4UU 0.58 0.894737
142 GA7 0.58 0.906667
143 4TC 0.576923 0.896104
144 ADJ 0.575472 0.851852
145 A4D 0.573333 0.819444
146 5CD 0.573333 0.805556
147 A3P 0.571429 0.971429
148 RGT 0.571429 0.958904
149 7D5 0.56962 0.878378
150 LAQ 0.568627 0.839506
151 NO7 0.565217 0.932432
152 F2R 0.564815 0.864198
153 80F 0.563636 0.841463
154 YLP 0.563107 0.819277
155 A A 0.5625 0.944444
156 UPA 0.561905 0.907895
157 AV2 0.56044 0.917808
158 COD 0.559633 0.811765
159 4UW 0.557692 0.860759
160 JB6 0.556701 0.883117
161 ATP A 0.555556 0.930556
162 ATP A A A 0.555556 0.930556
163 3AM 0.555556 0.929577
164 A2P 0.552941 0.957143
165 TYM 0.552381 0.906667
166 NA7 0.552083 0.958904
167 EP4 0.551282 0.753247
168 MYR AMP 0.55102 0.817073
169 PPS 0.549451 0.873418
170 YLB 0.54717 0.819277
171 YLC 0.54717 0.839506
172 H1Q 0.545455 0.90411
173 NAD 0.545455 0.931507
174 DAT 0.545455 0.905405
175 TYR AMP 0.544554 0.87013
176 G5A 0.544444 0.77907
177 DTA 0.544304 0.786667
178 M2T 0.544304 0.734177
179 3DH 0.54321 0.773333
180 128 0.542857 0.776471
181 AHZ 0.538462 0.817073
182 GTP 0.537634 0.92
183 SSA 0.537634 0.8
184 MTA 0.5375 0.773333
185 IOT 0.537037 0.831325
186 A3D 0.535714 0.918919
187 7MD 0.533981 0.8625
188 AR6 AR6 0.533981 0.917808
189 ARG AMP 0.533981 0.829268
190 YLA 0.53211 0.819277
191 AMP DBH 0.529412 0.893333
192 IMO 0.529412 0.929577
193 TAD 0.528846 0.884615
194 AYB 0.527273 0.809524
195 HDV 0.526882 0.893333
196 A5A 0.526882 0.807229
197 TSB 0.526316 0.819277
198 EAD 0.525424 0.873418
199 2AM 0.52439 0.943662
200 6RE 0.52381 0.759494
201 6MZ 0.523256 0.930556
202 7DD 0.522727 0.985714
203 V3L 0.521739 0.971831
204 AVV 0.520833 0.896104
205 BTX 0.517857 0.841463
206 NAE 0.517241 0.894737
207 VMS 0.515789 0.788235
208 54H 0.515789 0.788235
209 52H 0.515789 0.77907
210 NSS 0.515464 0.8
211 BT5 0.513274 0.831325
212 NAQ 0.512821 0.871795
213 ZAS 0.511905 0.766234
214 A3N 0.511628 0.786667
215 J7C 0.511628 0.769231
216 5X8 0.511111 0.763158
217 8X1 0.510417 0.752809
218 53H 0.510417 0.77907
219 5CA 0.510417 0.8
220 ARU 0.510204 0.860759
221 NVA LMS 0.510204 0.752809
222 AF3 ADP 3PG 0.509259 0.8375
223 ZID 0.508475 0.918919
224 P1H 0.508197 0.851852
225 OVE 0.505882 0.905405
226 S4M 0.505747 0.666667
227 LEU LMS 0.50505 0.752809
228 LPA AMP 0.504673 0.817073
229 7MC 0.504587 0.841463
230 DSZ 0.5 0.8
231 MAO 0.5 0.759036
232 DSH 0.5 0.725
233 FB0 0.5 0.804598
234 P5A 0.5 0.744444
235 DZD 0.5 0.884615
236 LSS 0.5 0.761364
237 NDE 0.495935 0.932432
238 N0B 0.495798 0.819277
239 M24 0.495726 0.85
240 YLY 0.495726 0.809524
241 NJP 0.495575 0.945946
242 9K8 0.49505 0.714286
243 MGP 0.494737 0.884615
244 6C6 0.494624 0.881579
245 NAJ PZO 0.491379 0.848101
246 0WD 0.491228 0.921053
247 6G0 0.489583 0.884615
248 GJV 0.488636 0.75
249 6FA 0.488189 0.841463
250 5AD 0.486842 0.746479
251 GSU 0.485149 0.77907
252 KAA 0.485149 0.752809
253 71V 0.483146 0.907895
254 A3G 0.482759 0.8
255 NEC 0.482759 0.746667
256 ODP 0.482456 0.909091
257 FAS 0.48062 0.851852
258 FAD 0.48062 0.851852
259 7D7 0.480519 0.743243
260 FDA 0.480315 0.833333
261 N6P 0.48 0.915493
262 2SA 0.479167 0.932432
263 GP3 0.478723 0.921053
264 4TA 0.478261 0.807229
265 AMP NAD 0.478261 0.905405
266 SFG 0.478261 0.75
267 G A A A 0.478261 0.871795
268 NDP 0.477876 0.921053
269 NPW 0.477876 0.886076
270 NDC 0.47619 0.871795
271 YSA 0.47619 0.77907
272 LQJ 0.47619 0.917808
273 NAJ PYZ 0.475 0.807229
274 MGO 0.474227 0.860759
275 NZQ 0.473684 0.909091
276 6IA 0.473684 0.8375
277 GDP 0.473684 0.92
278 TXP 0.473684 0.921053
279 A7D 0.472527 0.776316
280 J4G 0.470588 0.92
281 SFD 0.469231 0.734043
282 A5D 0.468085 0.786667
283 ZDA 0.468085 0.864865
284 SA8 0.468085 0.707317
285 12D 0.46789 0.785714
286 PGS 0.467391 0.883117
287 MHZ 0.467391 0.697674
288 8PZ 0.466667 0.8
289 62F 0.466165 0.8625
290 DA 0.465909 0.878378
291 D5M 0.465909 0.878378
292 GGZ 0.464646 0.825
293 SAH 0.463158 0.74359
294 SAI 0.463158 0.734177
295 FAY 0.462687 0.8625
296 Y3J 0.4625 0.726027
297 B1U 0.462264 0.736264
298 PO4 PO4 A A A A PO4 0.460784 0.902778
299 AAM 0.460674 0.971429
300 RFL 0.459259 0.821429
301 HF7 0.459184 0.893333
302 SMM 0.459184 0.686047
303 C2R 0.458824 0.90411
304 AMZ 0.458824 0.916667
305 SAM 0.458333 0.690476
306 A3S 0.456522 0.810811
307 FNK 0.455224 0.804598
308 U A 0.453782 0.907895
309 7C5 0.453704 0.818182
310 AAT 0.453608 0.707317
311 EEM 0.453608 0.690476
312 A G 0.452991 0.883117
313 XNP 0.452991 0.873418
314 PRT 0.45283 0.931507
315 AIR 0.451219 0.901408
316 62X 0.45098 0.666667
317 KOY 0.45045 0.802632
318 DCA 0.45 0.823529
319 GSP 0.45 0.873418
320 ETB 0.45 0.833333
321 N5O 0.449438 0.763158
322 U A G G 0.449153 0.883117
323 NIA 0.448276 0.822785
324 A3T 0.446809 0.821918
325 A A A 0.446602 0.905405
326 K15 0.446602 0.682353
327 PUA 0.446281 0.884615
328 6K6 0.445545 0.930556
329 GEK 0.445545 0.7375
330 4YB 0.445455 0.761364
331 S7M 0.444444 0.690476
332 1DG 0.443548 0.921053
333 DG1 0.443548 0.921053
334 Z5A 0.443548 0.77907
335 0T1 0.442623 0.823529
336 COA 0.442623 0.823529
337 WSA 0.442478 0.788235
338 N5A 0.43956 0.736842
339 8BR 0.43956 0.906667
340 8Q2 0.438596 0.772727
341 101 0.438202 0.878378
342 IDP 0.4375 0.918919
343 NVA 2AD 0.4375 0.759494
344 9JJ 0.435714 0.8625
345 NAP 0.435484 0.945205
346 APU 0.434783 0.894737
347 A U 0.434783 0.87013
348 7RP 0.433333 0.928571
349 A6D 0.432692 0.722892
350 30N 0.432 0.752688
351 CAO 0.432 0.795455
352 TAP 0.432 0.907895
353 COS 0.432 0.804598
354 J7V 0.432 0.833333
355 AMX 0.432 0.833333
356 V1N 0.431193 0.917808
357 649 0.429825 0.744444
358 P5F 0.429577 0.823529
359 CMX 0.428571 0.823529
360 SCO 0.428571 0.823529
361 NA0 0.428571 0.932432
362 7RA 0.428571 0.957747
363 GAV 0.427184 0.884615
364 0UM 0.427184 0.698795
365 QQY 0.426966 0.815789
366 1RB 0.426966 0.885714
367 ACK 0.426966 0.861111
368 G1R 0.425743 0.907895
369 GCP 0.425743 0.896104
370 FAM 0.425197 0.804598
371 ACO 0.425197 0.795455
372 FCX 0.425197 0.795455
373 OZP 0.424779 0.728395
374 GNH 0.424242 0.907895
375 F2N 0.423611 0.813953
376 GKE 0.422018 0.884615
377 GDC 0.422018 0.884615
378 GDD 0.422018 0.884615
379 HAX 0.421875 0.804598
380 3AD 0.421687 0.805556
381 GNP 0.421569 0.896104
382 9GM 0.421569 0.896104
383 FA9 0.42069 0.864198
384 TM1 0.420561 0.77381
385 KB1 0.420561 0.698795
386 9BG 0.420168 0.896104
387 H6Y 0.42 0.945205
388 2MC 0.419847 0.769231
389 FYN 0.418605 0.823529
390 3KK 0.418605 0.804598
391 S8M 0.417476 0.759494
392 7L1 0.417323 0.795455
393 26A 0.416667 0.763158
394 NHD 0.416667 0.905405
395 2VA 0.416667 0.8
396 HZ2 0.415929 0.731707
397 QQX 0.41573 0.805195
398 SOP 0.415385 0.804598
399 KGP 0.415385 0.729167
400 COK 0.415385 0.804598
401 YZS 0.415385 0.729167
402 MCD 0.415385 0.804598
403 CA6 0.415385 0.729167
404 OXK 0.415385 0.804598
405 YE1 0.413534 0.813953
406 AS 0.413043 0.833333
407 FAI 0.413043 0.916667
408 RMB 0.413043 0.873239
409 CMC 0.412214 0.804598
410 CO6 0.412214 0.804598
411 1VU 0.412214 0.795455
412 NMX 0.412214 0.76087
413 SXZ 0.411215 0.710843
414 ANZ 0.410714 0.8
415 SCA 0.410448 0.804598
416 CAJ 0.409091 0.804598
417 SCD 0.409091 0.823529
418 HY8 0.408696 0.731707
419 EO7 0.408602 0.788235
420 D3Y 0.407767 0.789474
421 CC5 0.407407 0.816901
422 KGA 0.407407 0.744681
423 KH3 0.40708 0.674419
424 SLU 0.406504 0.770115
425 A C A C 0.406504 0.848101
426 5GP 0.40625 0.906667
427 G 0.40625 0.906667
428 KGJ 0.406015 0.752688
429 A1S 0.406015 0.804598
430 IVC 0.406015 0.813953
431 MLC 0.406015 0.804598
432 3HC 0.406015 0.813953
433 BCO 0.406015 0.804598
434 1HE 0.406015 0.786517
435 GTG 0.405405 0.886076
436 NMN AMP PO4 0.404959 0.87013
437 3L1 0.404762 0.773333
438 3D1 0.404762 0.773333
439 2BA 0.404255 0.915493
440 CMP 0.404255 0.901408
441 VRT 0.40404 0.769231
442 SO8 0.40404 0.789474
443 SO5 0.402985 0.721649
444 MCA 0.402985 0.795455
445 CAA 0.402985 0.813953
446 COO 0.402985 0.804598
447 LCV 0.402985 0.721649
448 G2R 0.401869 0.884615
449 3NZ 0.401869 0.782051
450 YXR 0.4 0.729167
451 2CP 0.4 0.795455
452 ZZB 0.4 0.77381
453 MC4 0.4 0.76087
454 YXS 0.4 0.729167
455 2FA 0.4 0.813333
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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