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- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 67 families. | |||||
1 | 3HNT | - | AXR BXY BXY BXX | n/a | n/a |
2 | 3HNV | - | AXR BXY BXY BXX | n/a | n/a |
3 | 3HNS | - | AXR BXY BXY BXY BXX BXX | n/a | n/a |
4 | 6N16 | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
5 | 6MQR | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
6 | 3QG6 | ic50 = 0.73 nM | TYR SER THR CYS TYR PHE ILE MET | n/a | n/a |
7 | 3IF1 | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
8 | 3IET | Kd = 0.14 uM | GLY THR LYS PRO PRO LEU GLU GLU LEU A2G | n/a | n/a |
9 | 3PHQ | - | KDO | C8 H14 O8 | C1[C@H]([C.... |
10 | 2HRP | - | MET SER LEU PRO GLY ARG TRP LYS PRO LYS | n/a | n/a |
11 | 5NBW | - | 8SK | C20 H12 O | c1ccc2c(c1.... |
12 | 6MSY | - | MAN MAN MAN MAN | n/a | n/a |
13 | 3OAU | - | MAN MAN | n/a | n/a |
14 | 6N35 | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
15 | 6MUB | - | BMA MAN MAN MAN MAN | n/a | n/a |
16 | 6MU3 | - | BMA MAN MAN MAN | n/a | n/a |
17 | 3OAZ | - | 2M5 | C8 H16 O6 | C[C@@H]([C.... |
18 | 4RBP | - | KDO MAN MAN MAN MAN MAN | n/a | n/a |
19 | 3OAY | - | BDF | C6 H12 O6 | C1[C@H]([C.... |
20 | 4OJF | - | ASP ALA GLU PHE ARG HIS ASP SER | n/a | n/a |
21 | 5D6C | - | 57S | C13 H26 N O13 P | CC(=O)N[C@.... |
22 | 6DWA | - | HD4 | C13 H26 N O13 P | CC(=O)N[C@.... |
23 | 2BMK | Kd = 2.4 uM | PDD | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
24 | 1WC7 | - | PP3 | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
25 | 1WCB | Kd = 26 nM | PE1 | C14 H24 N3 O7 P | Cc1c(c(c(c.... |
26 | 1MJ7 | Kd = 4.5 nM | HAL | C23 H29 N2 O7 P | c1ccc(cc1).... |
27 | 1MH5 | Kd = 0.61 nM | HAL | C23 H29 N2 O7 P | c1ccc(cc1).... |
28 | 3I9G | Kd = 1.1 nM | S1P | C18 H38 N O5 P | CCCCCCCCCC.... |
29 | 1AJ7 | Kd = 135 uM | NPE | C11 H13 N O7 P | c1cc(ccc1[.... |
30 | 1GAF | Kd = 10 nM | NPE | C11 H13 N O7 P | c1cc(ccc1[.... |
31 | 3CFD | - | SPB | C19 H19 N O3 | c1ccc(cc1).... |
32 | 4JN2 | - | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
33 | 1U8M | - | GLU LEU ASP LYS TYR ALA SER | n/a | n/a |
34 | 3IDG | - | ALA LEU ASP LYS TRP ASP | n/a | n/a |
35 | 1TJG | - | GLU LEU ASP LYS TRP ALA SER | n/a | n/a |
36 | 1U93 | - | GLU GLN ASP LYS TRP ALA SER | n/a | n/a |
37 | 1U8H | - | ALA LEU ASP LYS TRP ALA SER | n/a | n/a |
38 | 1U8Q | - | GLU LEU GLU LYS TRP ALA SER | n/a | n/a |
39 | 3IDJ | - | GLU LEU ASP ORN TRP ALA SER | n/a | n/a |
40 | 2F5B | - | GLU LEU ASP LYS TRP ALA SER | n/a | n/a |
41 | 1U92 | - | GLU ALA ASP LYS TRP GLN SER | n/a | n/a |
42 | 1U8I | - | GLU LEU ASP LYS TRP ALA ASN | n/a | n/a |
43 | 1U95 | - | GLU LEU ASP HIS TRP ALA SER | n/a | n/a |
44 | 1U8J | - | GLU LEU ASP LYS TRP ALA GLY | n/a | n/a |
45 | 3IDI | - | ALA LEU ASP LYS TRP GLN ASN | n/a | n/a |
46 | 3IDN | - | GLU LEU ASP HOX TRP ALA SER | n/a | n/a |
47 | 1U91 | - | GLU ASN ASP LYS TRP ALA SER | n/a | n/a |
48 | 3IDM | - | GLU LEU ASP NRG TRP ALA SER | n/a | n/a |
49 | 1U8K | - | LEU GLU LEU ASP LYS TRP ALA SER LEU | n/a | n/a |
50 | 2C1P | - | FNZ | C18 H15 F N4 O | c1cc(ccc1C.... |
51 | 2R2E | - | KDE | C11 H18 O8 | C=CCO[C@@].... |
52 | 3SY0 | - | KDA KDO KDO | n/a | n/a |
53 | 3OKL | - | KDA KDO | n/a | n/a |
54 | 2R1Y | Kd = 31 uM | KDR KDO | n/a | n/a |
55 | 2R2B | - | KDA KDO KDO | n/a | n/a |
56 | 2G5B | - | PRO THR SER SER GLU GLN ILE | n/a | n/a |
57 | 2R1X | Kd = 16 uM | KDA KDD | n/a | n/a |
58 | 3OKK | - | KDA KDO | n/a | n/a |
59 | 3OKE | - | KO2 | C11 H18 O9 | C=CCO[C@@].... |
60 | 3OKN | - | KDA KDO KDO | n/a | n/a |
61 | 3HZM | Kd = 0.000000064 M | KDO | C8 H14 O8 | C1[C@H]([C.... |
62 | 2R23 | Kd = 190 uM | KDA KO1 | n/a | n/a |
63 | 1Q9W | - | GP1 GP4 KDO KDO KDO | n/a | n/a |
64 | 3T65 | - | KDA KDO | n/a | n/a |
65 | 2R1W | Kd = 25 uM | KDA KDB | n/a | n/a |
66 | 3OKO | - | KDA KDO KDO | n/a | n/a |
67 | 3HZV | - | KDA KDO KDO | n/a | n/a |
68 | 3T4Y | - | KDO | C8 H14 O8 | C1[C@H]([C.... |
69 | 3OKD | - | KDO | C8 H14 O8 | C1[C@H]([C.... |
70 | 3T77 | - | KDA KDO | n/a | n/a |
71 | 3HZY | Kd = 0.000000064 M | KDA KDO KDO | n/a | n/a |
72 | 3HZK | Kd = 0.3 M | KDA KDO | n/a | n/a |
73 | 2R2H | - | KO2 | C11 H18 O9 | C=CCO[C@@].... |
74 | 3BPC | Kd = 16 uM | KDA KDB | n/a | n/a |
75 | 4HGW | Kd = 0.000000064 M | KTU KDO | n/a | n/a |
76 | 5XQW | Kd = 1.6 nM | 8EU | C9 H12 N O5 P | CCP(=O)(O).... |
77 | 5TKJ | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
78 | 6CDP | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
79 | 6CDM | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
80 | 1Y0L | Kd ~ 1 nM | HAN | C14 H19 N3 O2 | Cc1cc2c(cc.... |
81 | 1E4W | Kd = 25 nM | SER HIS PHE ASN GLU TYR GLU | n/a | n/a |
82 | 3V52 | - | GLU PRO GLN ALA PRO TRP MET GLU | n/a | n/a |
83 | 3UYR | - | GLU PRO GLN ALA PRO TRP MET GLU | n/a | n/a |
84 | 3V4U | - | GLU PRO GLN ALA PRO TRP MET GLU GLN | n/a | n/a |
85 | 3UO1 | - | GLU PRO GLN ALA PRO TRP MET GLU GLN | n/a | n/a |
86 | 1F3D | - | TPM | C12 H18 N3 | c1cc(ccc1C.... |
87 | 2OK0 | Kd = 0.2 nM | DT DC | n/a | n/a |
88 | 1MRF | - | DI | C10 H13 N4 O7 P | c1nc2c(n1[.... |
89 | 1MRD | - | IDP | C10 H14 N4 O11 P2 | c1nc2c(n1[.... |
90 | 1MRE | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
91 | 6UG7 | - | BGC GAL GLA NGA GAL SIA | n/a | n/a |
92 | 6UG8 | - | BGC GAL GLA NGA GAL SIA | n/a | n/a |
93 | 5MY4 | - | PCA PHE ARG HIS ASP SER GLY TYR GLU VAL | n/a | n/a |
94 | 3FO0 | - | BZH | C12 H14 N4 O3 | c1cc2c(cc1.... |
95 | 3FO2 | - | BZH | C12 H14 N4 O3 | c1cc2c(cc1.... |
96 | 3FO1 | - | BZH | C12 H14 N4 O3 | c1cc2c(cc1.... |
97 | 5MYO | - | PCA PHE ARG HIS ASP SER GLY TYR GLU VAL | n/a | n/a |
98 | 1QYG | - | BCG | C16 H19 N O4 | C[N@]1[C@H.... |
99 | 1RIV | - | OBE | C16 H19 N O5 | C[N@H+]1[C.... |
100 | 1Q72 | Kd = 0.0000123 M | COC | C17 H21 N O4 | C[N@]1[C@H.... |
101 | 1RIU | - | RBE | C15 H17 N O4 | c1ccc(cc1).... |
102 | 6OBD | - | ASN ASP THR SER GLN THR SER SER PRO SER OPE | n/a | n/a |
103 | 3FN0 | Kd ~ 40 uM | TRP ASN TRP PHE ASP ILE THR ASN LYS | n/a | n/a |
104 | 1S3K | Kd = 0.24 uM | NDG FUC GAL FUC | n/a | n/a |
105 | 3EYV | - | NDG FUC GAL FUC | n/a | n/a |
106 | 5I8C | - | ALA VAL GLY ILE GLY ALA VAL PHE LEU | n/a | n/a |
107 | 6UCE | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
108 | 6UCF | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
109 | 2AJX | - | TGN | C16 H22 N O5 P | C[N@]1[C@H.... |
110 | 2AJZ | - | ECG | C10 H17 N O3 | C[N@]1[C@H.... |
111 | 2AK1 | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
112 | 2AJV | - | COC | C17 H21 N O4 | C[N@]1[C@H.... |
113 | 2AJY | - | ECG | C10 H17 N O3 | C[N@]1[C@H.... |
114 | 5VH4 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
115 | 1A4K | Kd = 0.01 uM | FRA | C21 H23 N3 O7 | CC(=O)Nc1c.... |
116 | 6DZN | - | AE3 | C6 H14 O3 | CCOCCOCCO |
117 | 3IJH | Kd = 100 uM | KO2 | C11 H18 O9 | C=CCO[C@@].... |
118 | 1YEE | - | PNB | C13 H17 N2 O8 P | c1cc(ccc1C.... |
119 | 1KN4 | - | PDE | C13 H17 N2 O8 P | C[C@@H](C(.... |
120 | 1YEG | - | BPN | C7 H7 N O3 | c1cc(ccc1C.... |
121 | 1YEK | - | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
122 | 1YEI | Kd = 35 nM | PGG | C12 H15 N2 O8 P | c1cc(ccc1[.... |
123 | 1YEC | - | PNB | C13 H17 N2 O8 P | c1cc(ccc1C.... |
124 | 1YEJ | Kd = 35 nM | PNF | C16 H23 N2 O8 P | c1cc(ccc1[.... |
125 | 1YEF | - | PNC | C14 H17 N3 O6 | c1cc(ccc1C.... |
126 | 1KN2 | - | PNE | C13 H17 N2 O8 P | CC(C(=O)O).... |
127 | 4OCX | Kd ~ 3.6 pM | MT1 | C20 H23 N8 O5 | CN(Cc1cnc2.... |
128 | 4S1D | - | 41M | C16 H29 N5 O3 S | C1[C@H]2[C.... |
129 | 1FLR | Kd = 0.1 nM | FLU | C20 H12 O5 | c1ccc(c(c1.... |
130 | 5JOP | - | NAG GAL BGC GAL | n/a | n/a |
131 | 3QCU | - | NKN | C17 H35 O7 P | CCCCCCCCCC.... |
132 | 4ONF | - | ASP ALA GLU PHE ARG HIS ASP | n/a | n/a |
133 | 1KEL | Kd = 52 nM | AAH | C13 H19 N2 O7 P | c1cc(ccc1C.... |
134 | 1JGU | - | HBC | C20 H21 N O | c1ccc(cc1).... |
135 | 2DDQ | - | HRB | C17 H27 N3 O5 | CCCCC[C@@H.... |
136 | 2DQU | Ki = 50 nM | CPD | C28 H36 Cl2 F3 N6 O8 P | CCNC(=O)N(.... |
137 | 2DQT | Ki = 50 nM | CPD | C28 H36 Cl2 F3 N6 O8 P | CCNC(=O)N(.... |
138 | 6MQC | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
139 | 1JGL | Kd = 2 nM | EST | C18 H24 O2 | C[C@]12CC[.... |
140 | 1A0Q | Ki = 27 nM | HEP | C15 H22 N O6 P | CCCC[C@H](.... |
141 | 2Z93 | Kd = 11.1 nM | END | C17 H24 O7 | C1C=CCO[C@.... |
142 | 2Z92 | Kd = 0.8 nM | ENE | C22 H30 O8 | C1C=CCO[C@.... |
143 | 2R0W | - | ASP ALA GLU PHE ARG HIS ASP SER | n/a | n/a |
144 | 5EOQ | - | LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU | n/a | n/a |
145 | 3EYS | Kd = 3000 nM | PCA PHE ARG HIS ASP SER | n/a | n/a |
146 | 2IPU | - | ASP ALA GLU PHE ARG HIS ASP SER | n/a | n/a |
147 | 2R0Z | Kd = 3400 nM | ALA LYS PHE ARG HIS ASP | n/a | n/a |
148 | 6EV2 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
149 | 4YHY | - | M3L | C9 H21 N2 O2 | C[N+](C)(C.... |
150 | 3TWC | - | MAN AML MAN MAN MAN MAN MAN MAN MAN | n/a | n/a |
151 | 6B3D | - | MAN MAN MAN MAN MAN MAN MAN | n/a | n/a |
152 | 2V17 | - | THR ASP HIS GLY ALA GLU | n/a | n/a |
153 | 1EAP | - | HEP | C15 H22 N O6 P | CCCC[C@H](.... |
154 | 6C5J | Kd = 68.5 nM | GP1 Z9M KDO KDO KDO | n/a | n/a |
155 | 4M7J | Kd = 0.781 uM | KDA KDO KDO | n/a | n/a |
156 | 6C5H | Kd = 370 nM | GP1 Z9M KDO KDO KDO | n/a | n/a |
157 | 5T78 | Kd = 43 nM | NGA ALA PRO ASP THR ARG PRO ALA PRO | n/a | n/a |
158 | 5T6P | Kd = 880 nM | ALA PRO ASP THR ARG PRO ALA PRO | n/a | n/a |
159 | 4TUO | - | GLC GAL SIA NGA SIA | n/a | n/a |
160 | 2HKF | - | LEU PRO GLY GLU GLU ASP LEU PRO GLY | n/a | n/a |
161 | 1MFB | - | RAM MAN GLA ABE RAM MAN GLA | n/a | n/a |
162 | 1MFD | Kd = 4.9 uM | MMA GLA ABE | n/a | n/a |
163 | 1MFC | - | RAM MAN GLA ABE | n/a | n/a |
164 | 1LO3 | - | AN1 | C18 H16 O2 | Cc1c2ccccc.... |
165 | 1LO0 | - | BC1 | C19 H17 N3 O3 | CN1c2ccccc.... |
166 | 1LO2 | - | OX1 | C18 H16 O4 | CC12c3cccc.... |
167 | 3BZ4 | - | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | n/a | n/a |
168 | 3C6S | - | RAM NAG RAM RAM RAM NAG RAM RAM RAM GLC GLC | n/a | n/a |
169 | 6DWI | - | HD4 | C13 H26 N O13 P | CC(=O)N[C@.... |
170 | 6UBI | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
171 | 1M7D | Ka = 1700000 M^-1 | MAG RAE RAM | n/a | n/a |
172 | 1M7I | Ka = 250000 M^-1 | RAO NAG RAM RAM RAM | n/a | n/a |
173 | 1PZ5 | Kd = 4 uM | MET ASP TRP ASN MET HIS ALA ALA | n/a | n/a |
174 | 5TKK | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
175 | 1XF2 | - | DT DT DT | n/a | n/a |
176 | 6MQE | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
177 | 6DF1 | - | LEU PTR LEU | n/a | n/a |
178 | 6DZR | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
179 | 5ALB | - | TIQ | C23 H28 F2 N6 O4 S | CCCSc1nc(c.... |
180 | 5ALC | - | TIQ | C23 H28 F2 N6 O4 S | CCCSc1nc(c.... |
181 | 1NGP | - | NPA | C8 H7 N O5 | c1cc(c(cc1.... |
182 | 4ODV | - | GP1 Z9M | n/a | n/a |
183 | 1KEG | - | DT 64T DT DT | n/a | n/a |
184 | 1EHL | - | 5HT DT | n/a | n/a |
185 | 1C1E | - | ENH | C10 H5 Cl6 N O2 | CN1C(=O)[C.... |
186 | 1CLY | - | NAG NON FUC GAL FUC | n/a | n/a |
187 | 1CT8 | Kd = 0.3 uM | TAA | C20 H21 Cl2 F3 N3 O8 P | c1cc(ccc1C.... |
188 | 1CE1 | - | GLY THR SER SER PRO SER ALA ASP | n/a | n/a |
189 | 6DW2 | - | HD4 | C13 H26 N O13 P | CC(=O)N[C@.... |
190 | 1T66 | - | FLU | C20 H12 O5 | c1ccc(c(c1.... |
191 | 3GHB | - | LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA | n/a | n/a |
192 | 2W65 | - | ALA CIR GLY LEU THR GLY ARG HYP GLY | n/a | n/a |
193 | 5DYO | - | FLU | C20 H12 O5 | c1ccc(c(c1.... |
194 | 4UIN | Kd = 24 nM | QI9 | C20 H24 N2 O2 | COc1ccc2c(.... |
195 | 3V0W | Kd = 32 nM | KDO KDO GM0 GM0 GLC GMH GLC GLA GLC PA1 | n/a | n/a |
196 | 3IFL | - | ASP ALA GLU PHE ARG HIS ASP | n/a | n/a |
197 | 3IFO | - | ASP ALA GLU PHE ARG HIS ASP | n/a | n/a |
198 | 2CGR | Kd = 53 nM | GAS | C23 H20 N4 O2 | c1ccc(cc1).... |
199 | 1YNK | - | SC5 | C18 H26 N4 O2 | C[C@H](c1c.... |
200 | 1I7Z | Kd = 0.4 uM | COC | C17 H21 N O4 | C[N@]1[C@H.... |
201 | 2O5Z | Kd = 110 mM | ANO | C19 H28 O2 | C[C@]12CCC.... |
202 | 25C8 | - | GEP | C19 H29 N2 O3 | C[N+]1(CCC.... |
203 | 35C8 | - | NOX | C18 H26 N2 O4 | c1cc(ccc1C.... |
204 | 1FL3 | Kd = 0.16 uM | SPB | C19 H19 N O3 | c1ccc(cc1).... |
205 | 3CFB | - | SPB | C19 H19 N O3 | c1ccc(cc1).... |
206 | 1UB5 | - | SPB | C19 H19 N O3 | c1ccc(cc1).... |
207 | 1IND | Ka = 11000000000 M^-1 | EOT | C20 H28 N4 O9 S | c1cc(ccc1C.... |
208 | 1ZEA | Kd = 6 uM | DVA DPR GLY DSN DGN DHI DTY DAS DSN | n/a | n/a |
209 | 1MEX | - | RAC | C18 H18 N2 O5 | CN(C)C(=O).... |
210 | 1UM5 | - | SS1 | C8 H10 O | C[C@@H](c1.... |
211 | 1UM4 | - | SH4 | C17 H19 N O4 P | C[C@@H](c1.... |
212 | 1VPO | Kd = 0.000000064 M | TES | C19 H28 O2 | C[C@]12CC[.... |
213 | 1C5C | Kd = 110 nM | TK4 | C12 H11 N O7 S2 | CC(=O)Nc1c.... |
214 | 2PCP | Kd = 2 nM | 1PC | C17 H25 N | c1ccc(cc1).... |
215 | 1D6V | Kd = 670 nM | HOP | C23 H27 N O4 | c1ccc(cc1).... |
216 | 1Q0Y | Kd ~ 1 nM | MOI | C17 H19 N O3 | C[N@]1CC[C.... |
217 | 6CDO | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
218 | 6IDG | Kd = 0.000000064 M | 64T 5PY | n/a | n/a |
219 | 4YHK | ic50 = 4.6 nM | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
220 | 4YHM | Kd = 173 pM | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
221 | 4YHO | Kd = 18 pM | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
222 | 4YHI | ic50 = 4.6 nM | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
223 | 3O6M | Kd = 33 nM | PRO LYS LEU GLU PRO TRP LYS HIS PRO | n/a | n/a |
224 | 1IGJ | Kd = 0.1 nM | DGX | C41 H64 O14 | C[C@@H]1[C.... |
225 | 1UZ8 | Ka = 93000 M^-1 | MAG FUC GAL | n/a | n/a |
226 | 4ODT | - | GP1 Z9M | n/a | n/a |
227 | 1RUM | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
228 | 1ND0 | - | DP4 | C14 H23 N O Si | C[N+]1(CCC.... |
229 | 3LEY | - | LEU LEU GLU LEU ASP LYS TRP ALA NH2 | n/a | n/a |
230 | 1RUP | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
231 | 1RU9 | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
232 | 1RUL | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
233 | 3LEX | Kd = 6.44 nM | LEU LEU GLU LEU ASP LYS TRP ALA NH2 | n/a | n/a |
234 | 1RUK | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
235 | 1NCW | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
236 | 1RUA | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 45 families. | |||||
1 | 3HNT | - | AXR BXY BXY BXX | n/a | n/a |
2 | 3HNV | - | AXR BXY BXY BXX | n/a | n/a |
3 | 3HNS | - | AXR BXY BXY BXY BXX BXX | n/a | n/a |
4 | 6N16 | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
5 | 6MQR | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
6 | 3QG6 | ic50 = 0.73 nM | TYR SER THR CYS TYR PHE ILE MET | n/a | n/a |
7 | 3IF1 | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
8 | 3IET | Kd = 0.14 uM | GLY THR LYS PRO PRO LEU GLU GLU LEU A2G | n/a | n/a |
9 | 3PHQ | - | KDO | C8 H14 O8 | C1[C@H]([C.... |
10 | 2HRP | - | MET SER LEU PRO GLY ARG TRP LYS PRO LYS | n/a | n/a |
11 | 5NBW | - | 8SK | C20 H12 O | c1ccc2c(c1.... |
12 | 6MSY | - | MAN MAN MAN MAN | n/a | n/a |
13 | 3OAU | - | MAN MAN | n/a | n/a |
14 | 6N35 | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
15 | 6MUB | - | BMA MAN MAN MAN MAN | n/a | n/a |
16 | 6MU3 | - | BMA MAN MAN MAN | n/a | n/a |
17 | 3OAZ | - | 2M5 | C8 H16 O6 | C[C@@H]([C.... |
18 | 4RBP | - | KDO MAN MAN MAN MAN MAN | n/a | n/a |
19 | 3OAY | - | BDF | C6 H12 O6 | C1[C@H]([C.... |
20 | 4OJF | - | ASP ALA GLU PHE ARG HIS ASP SER | n/a | n/a |
21 | 5D6C | - | 57S | C13 H26 N O13 P | CC(=O)N[C@.... |
22 | 6DWA | - | HD4 | C13 H26 N O13 P | CC(=O)N[C@.... |
23 | 2BMK | Kd = 2.4 uM | PDD | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
24 | 1WC7 | - | PP3 | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
25 | 1WCB | Kd = 26 nM | PE1 | C14 H24 N3 O7 P | Cc1c(c(c(c.... |
26 | 1MJ7 | Kd = 4.5 nM | HAL | C23 H29 N2 O7 P | c1ccc(cc1).... |
27 | 1MH5 | Kd = 0.61 nM | HAL | C23 H29 N2 O7 P | c1ccc(cc1).... |
28 | 1MFA | Kd = 9.1 uM | MMA GLA ABE | n/a | n/a |
29 | 3I9G | Kd = 1.1 nM | S1P | C18 H38 N O5 P | CCCCCCCCCC.... |
30 | 1F4X | Kd = 2.6 uM | MGS | C12 H23 N O7 | C[C@@H]1[C.... |
31 | 1AJ7 | Kd = 135 uM | NPE | C11 H13 N O7 P | c1cc(ccc1[.... |
32 | 1GAF | Kd = 10 nM | NPE | C11 H13 N O7 P | c1cc(ccc1[.... |
33 | 3CFD | - | SPB | C19 H19 N O3 | c1ccc(cc1).... |
34 | 4JN2 | - | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
35 | 1U8M | - | GLU LEU ASP LYS TYR ALA SER | n/a | n/a |
36 | 3IDG | - | ALA LEU ASP LYS TRP ASP | n/a | n/a |
37 | 1TJG | - | GLU LEU ASP LYS TRP ALA SER | n/a | n/a |
38 | 1U93 | - | GLU GLN ASP LYS TRP ALA SER | n/a | n/a |
39 | 1U8H | - | ALA LEU ASP LYS TRP ALA SER | n/a | n/a |
40 | 1U8Q | - | GLU LEU GLU LYS TRP ALA SER | n/a | n/a |
41 | 3IDJ | - | GLU LEU ASP ORN TRP ALA SER | n/a | n/a |
42 | 2F5B | - | GLU LEU ASP LYS TRP ALA SER | n/a | n/a |
43 | 1U92 | - | GLU ALA ASP LYS TRP GLN SER | n/a | n/a |
44 | 1U8I | - | GLU LEU ASP LYS TRP ALA ASN | n/a | n/a |
45 | 1U95 | - | GLU LEU ASP HIS TRP ALA SER | n/a | n/a |
46 | 1U8J | - | GLU LEU ASP LYS TRP ALA GLY | n/a | n/a |
47 | 3IDI | - | ALA LEU ASP LYS TRP GLN ASN | n/a | n/a |
48 | 3IDN | - | GLU LEU ASP HOX TRP ALA SER | n/a | n/a |
49 | 1U91 | - | GLU ASN ASP LYS TRP ALA SER | n/a | n/a |
50 | 3IDM | - | GLU LEU ASP NRG TRP ALA SER | n/a | n/a |
51 | 1U8K | - | LEU GLU LEU ASP LYS TRP ALA SER LEU | n/a | n/a |
52 | 2C1P | - | FNZ | C18 H15 F N4 O | c1cc(ccc1C.... |
53 | 2R2E | - | KDE | C11 H18 O8 | C=CCO[C@@].... |
54 | 3SY0 | - | KDA KDO KDO | n/a | n/a |
55 | 3OKL | - | KDA KDO | n/a | n/a |
56 | 2R1Y | Kd = 31 uM | KDR KDO | n/a | n/a |
57 | 2R2B | - | KDA KDO KDO | n/a | n/a |
58 | 2G5B | - | PRO THR SER SER GLU GLN ILE | n/a | n/a |
59 | 2R1X | Kd = 16 uM | KDA KDD | n/a | n/a |
60 | 3OKK | - | KDA KDO | n/a | n/a |
61 | 3OKE | - | KO2 | C11 H18 O9 | C=CCO[C@@].... |
62 | 3OKN | - | KDA KDO KDO | n/a | n/a |
63 | 3HZM | Kd = 0.000000064 M | KDO | C8 H14 O8 | C1[C@H]([C.... |
64 | 2R23 | Kd = 190 uM | KDA KO1 | n/a | n/a |
65 | 1Q9W | - | GP1 GP4 KDO KDO KDO | n/a | n/a |
66 | 3T65 | - | KDA KDO | n/a | n/a |
67 | 2R1W | Kd = 25 uM | KDA KDB | n/a | n/a |
68 | 3OKO | - | KDA KDO KDO | n/a | n/a |
69 | 3HZV | - | KDA KDO KDO | n/a | n/a |
70 | 3T4Y | - | KDO | C8 H14 O8 | C1[C@H]([C.... |
71 | 3OKD | - | KDO | C8 H14 O8 | C1[C@H]([C.... |
72 | 3T77 | - | KDA KDO | n/a | n/a |
73 | 3HZY | Kd = 0.000000064 M | KDA KDO KDO | n/a | n/a |
74 | 3HZK | Kd = 0.3 M | KDA KDO | n/a | n/a |
75 | 2R2H | - | KO2 | C11 H18 O9 | C=CCO[C@@].... |
76 | 3BPC | Kd = 16 uM | KDA KDB | n/a | n/a |
77 | 4HGW | Kd = 0.000000064 M | KTU KDO | n/a | n/a |
78 | 5XQW | Kd = 1.6 nM | 8EU | C9 H12 N O5 P | CCP(=O)(O).... |
79 | 5TKJ | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
80 | 6CDP | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
81 | 6CDM | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
82 | 1Y0L | Kd ~ 1 nM | HAN | C14 H19 N3 O2 | Cc1cc2c(cc.... |
83 | 1E4W | Kd = 25 nM | SER HIS PHE ASN GLU TYR GLU | n/a | n/a |
84 | 3V52 | - | GLU PRO GLN ALA PRO TRP MET GLU | n/a | n/a |
85 | 3UYR | - | GLU PRO GLN ALA PRO TRP MET GLU | n/a | n/a |
86 | 3V4U | - | GLU PRO GLN ALA PRO TRP MET GLU GLN | n/a | n/a |
87 | 3UO1 | - | GLU PRO GLN ALA PRO TRP MET GLU GLN | n/a | n/a |
88 | 1F3D | - | TPM | C12 H18 N3 | c1cc(ccc1C.... |
89 | 2OK0 | Kd = 0.2 nM | DT DC | n/a | n/a |
90 | 1MRF | - | DI | C10 H13 N4 O7 P | c1nc2c(n1[.... |
91 | 1MRD | - | IDP | C10 H14 N4 O11 P2 | c1nc2c(n1[.... |
92 | 1MRE | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
93 | 6UG7 | - | BGC GAL GLA NGA GAL SIA | n/a | n/a |
94 | 6UG8 | - | BGC GAL GLA NGA GAL SIA | n/a | n/a |
95 | 5MY4 | - | PCA PHE ARG HIS ASP SER GLY TYR GLU VAL | n/a | n/a |
96 | 3FO0 | - | BZH | C12 H14 N4 O3 | c1cc2c(cc1.... |
97 | 3FO2 | - | BZH | C12 H14 N4 O3 | c1cc2c(cc1.... |
98 | 3FO1 | - | BZH | C12 H14 N4 O3 | c1cc2c(cc1.... |
99 | 5DTF | - | 5CT | C10 H23 N3 O3 | C(CCNC[C@H.... |
100 | 5MYO | - | PCA PHE ARG HIS ASP SER GLY TYR GLU VAL | n/a | n/a |
101 | 1QYG | - | BCG | C16 H19 N O4 | C[N@]1[C@H.... |
102 | 1RIV | - | OBE | C16 H19 N O5 | C[N@H+]1[C.... |
103 | 1Q72 | Kd = 0.0000123 M | COC | C17 H21 N O4 | C[N@]1[C@H.... |
104 | 1RIU | - | RBE | C15 H17 N O4 | c1ccc(cc1).... |
105 | 6OBD | - | ASN ASP THR SER GLN THR SER SER PRO SER OPE | n/a | n/a |
106 | 3FN0 | Kd ~ 40 uM | TRP ASN TRP PHE ASP ILE THR ASN LYS | n/a | n/a |
107 | 1S3K | Kd = 0.24 uM | NDG FUC GAL FUC | n/a | n/a |
108 | 3EYV | - | NDG FUC GAL FUC | n/a | n/a |
109 | 5I8C | - | ALA VAL GLY ILE GLY ALA VAL PHE LEU | n/a | n/a |
110 | 6UCE | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
111 | 6UCF | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
112 | 2AJX | - | TGN | C16 H22 N O5 P | C[N@]1[C@H.... |
113 | 2AJZ | - | ECG | C10 H17 N O3 | C[N@]1[C@H.... |
114 | 2AK1 | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
115 | 2AJV | - | COC | C17 H21 N O4 | C[N@]1[C@H.... |
116 | 2AJY | - | ECG | C10 H17 N O3 | C[N@]1[C@H.... |
117 | 5VH4 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
118 | 1A4K | Kd = 0.01 uM | FRA | C21 H23 N3 O7 | CC(=O)Nc1c.... |
119 | 6DZN | - | AE3 | C6 H14 O3 | CCOCCOCCO |
120 | 3IJH | Kd = 100 uM | KO2 | C11 H18 O9 | C=CCO[C@@].... |
121 | 1YEE | - | PNB | C13 H17 N2 O8 P | c1cc(ccc1C.... |
122 | 1KN4 | - | PDE | C13 H17 N2 O8 P | C[C@@H](C(.... |
123 | 1YEG | - | BPN | C7 H7 N O3 | c1cc(ccc1C.... |
124 | 1YEK | - | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
125 | 1YEI | Kd = 35 nM | PGG | C12 H15 N2 O8 P | c1cc(ccc1[.... |
126 | 1YEC | - | PNB | C13 H17 N2 O8 P | c1cc(ccc1C.... |
127 | 1YEJ | Kd = 35 nM | PNF | C16 H23 N2 O8 P | c1cc(ccc1[.... |
128 | 1YEF | - | PNC | C14 H17 N3 O6 | c1cc(ccc1C.... |
129 | 1KN2 | - | PNE | C13 H17 N2 O8 P | CC(C(=O)O).... |
130 | 4OCX | Kd ~ 3.6 pM | MT1 | C20 H23 N8 O5 | CN(Cc1cnc2.... |
131 | 4S1D | - | 41M | C16 H29 N5 O3 S | C1[C@H]2[C.... |
132 | 1FLR | Kd = 0.1 nM | FLU | C20 H12 O5 | c1ccc(c(c1.... |
133 | 5EOR | - | ASP VAL GLN THR GLY ARG ARG PRO TYR GLU | n/a | n/a |
134 | 5JOP | - | NAG GAL BGC GAL | n/a | n/a |
135 | 3QCU | - | NKN | C17 H35 O7 P | CCCCCCCCCC.... |
136 | 4ONF | - | ASP ALA GLU PHE ARG HIS ASP | n/a | n/a |
137 | 1KEL | Kd = 52 nM | AAH | C13 H19 N2 O7 P | c1cc(ccc1C.... |
138 | 1JGU | - | HBC | C20 H21 N O | c1ccc(cc1).... |
139 | 2DDQ | - | HRB | C17 H27 N3 O5 | CCCCC[C@@H.... |
140 | 2DQU | Ki = 50 nM | CPD | C28 H36 Cl2 F3 N6 O8 P | CCNC(=O)N(.... |
141 | 2DQT | Ki = 50 nM | CPD | C28 H36 Cl2 F3 N6 O8 P | CCNC(=O)N(.... |
142 | 6MQC | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
143 | 1JGL | Kd = 2 nM | EST | C18 H24 O2 | C[C@]12CC[.... |
144 | 1A0Q | Ki = 27 nM | HEP | C15 H22 N O6 P | CCCC[C@H](.... |
145 | 2Z93 | Kd = 11.1 nM | END | C17 H24 O7 | C1C=CCO[C@.... |
146 | 2Z92 | Kd = 0.8 nM | ENE | C22 H30 O8 | C1C=CCO[C@.... |
147 | 2R0W | - | ASP ALA GLU PHE ARG HIS ASP SER | n/a | n/a |
148 | 5EOQ | - | LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU | n/a | n/a |
149 | 3EYS | Kd = 3000 nM | PCA PHE ARG HIS ASP SER | n/a | n/a |
150 | 2IPU | - | ASP ALA GLU PHE ARG HIS ASP SER | n/a | n/a |
151 | 2R0Z | Kd = 3400 nM | ALA LYS PHE ARG HIS ASP | n/a | n/a |
152 | 6EV2 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
153 | 4YHY | - | M3L | C9 H21 N2 O2 | C[N+](C)(C.... |
154 | 3TV3 | - | MAN AML MAN MAN MAN MAN MAN MAN MAN | n/a | n/a |
155 | 3TWC | - | MAN AML MAN MAN MAN MAN MAN MAN MAN | n/a | n/a |
156 | 6B3D | - | MAN MAN MAN MAN MAN MAN MAN | n/a | n/a |
157 | 2V17 | - | THR ASP HIS GLY ALA GLU | n/a | n/a |
158 | 1EAP | - | HEP | C15 H22 N O6 P | CCCC[C@H](.... |
159 | 6C5J | Kd = 68.5 nM | GP1 Z9M KDO KDO KDO | n/a | n/a |
160 | 4M7J | Kd = 0.781 uM | KDA KDO KDO | n/a | n/a |
161 | 6C5H | Kd = 370 nM | GP1 Z9M KDO KDO KDO | n/a | n/a |
162 | 5T78 | Kd = 43 nM | NGA ALA PRO ASP THR ARG PRO ALA PRO | n/a | n/a |
163 | 5T6P | Kd = 880 nM | ALA PRO ASP THR ARG PRO ALA PRO | n/a | n/a |
164 | 4TUO | - | GLC GAL SIA NGA SIA | n/a | n/a |
165 | 1DL7 | Kd = 0.32 uM | NCH | C11 H18 N2 O6 P | C[N+](C)(C.... |
166 | 2HKF | - | LEU PRO GLY GLU GLU ASP LEU PRO GLY | n/a | n/a |
167 | 1MFE | - | MAN GLA ABE | n/a | n/a |
168 | 1MFB | - | RAM MAN GLA ABE RAM MAN GLA | n/a | n/a |
169 | 1MFD | Kd = 4.9 uM | MMA GLA ABE | n/a | n/a |
170 | 1MFC | - | RAM MAN GLA ABE | n/a | n/a |
171 | 1LO3 | - | AN1 | C18 H16 O2 | Cc1c2ccccc.... |
172 | 1LO0 | - | BC1 | C19 H17 N3 O3 | CN1c2ccccc.... |
173 | 1LO2 | - | OX1 | C18 H16 O4 | CC12c3cccc.... |
174 | 3BZ4 | - | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | n/a | n/a |
175 | 3C6S | - | RAM NAG RAM RAM RAM NAG RAM RAM RAM GLC GLC | n/a | n/a |
176 | 6DWI | - | HD4 | C13 H26 N O13 P | CC(=O)N[C@.... |
177 | 6UBI | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
178 | 1M7D | Ka = 1700000 M^-1 | MAG RAE RAM | n/a | n/a |
179 | 1M7I | Ka = 250000 M^-1 | RAO NAG RAM RAM RAM | n/a | n/a |
180 | 1PZ5 | Kd = 4 uM | MET ASP TRP ASN MET HIS ALA ALA | n/a | n/a |
181 | 5TKK | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
182 | 2BJM | Ka < 100000 M^-1 | ANF | C14 H10 O | c1ccc2c(c1.... |
183 | 1A6V | - | NPC | C14 H17 N2 O6 | c1cc(c(cc1.... |
184 | 1OAU | Kd = 20 nM | DNF SER | n/a | n/a |
185 | 1A6W | - | NIP | C14 H16 I N2 O6 | c1c(cc(c(c.... |
186 | 1XF2 | - | DT DT DT | n/a | n/a |
187 | 2OMN | - | IPH | C6 H6 O | c1ccc(cc1).... |
188 | 2YKL | - | NLD | C17 H25 N3 O3 | CCNC(=O)CC.... |
189 | 2YK1 | Kd = 7.4 nM | NCT | C10 H14 N2 | C[N@@]1CCC.... |
190 | 6MQE | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
191 | 6DF1 | - | LEU PTR LEU | n/a | n/a |
192 | 6DZR | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
193 | 5ALB | - | TIQ | C23 H28 F2 N6 O4 S | CCCSc1nc(c.... |
194 | 5ALC | - | TIQ | C23 H28 F2 N6 O4 S | CCCSc1nc(c.... |
195 | 1NGP | - | NPA | C8 H7 N O5 | c1cc(c(cc1.... |
196 | 4ODV | - | GP1 Z9M | n/a | n/a |
197 | 1KEG | - | DT 64T DT DT | n/a | n/a |
198 | 1EHL | - | 5HT DT | n/a | n/a |
199 | 1C1E | - | ENH | C10 H5 Cl6 N O2 | CN1C(=O)[C.... |
200 | 1CLY | - | NAG NON FUC GAL FUC | n/a | n/a |
201 | 1CT8 | Kd = 0.3 uM | TAA | C20 H21 Cl2 F3 N3 O8 P | c1cc(ccc1C.... |
202 | 1CE1 | - | GLY THR SER SER PRO SER ALA ASP | n/a | n/a |
203 | 6DW2 | - | HD4 | C13 H26 N O13 P | CC(=O)N[C@.... |
204 | 1T66 | - | FLU | C20 H12 O5 | c1ccc(c(c1.... |
205 | 3GHB | - | LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA | n/a | n/a |
206 | 2W65 | - | ALA CIR GLY LEU THR GLY ARG HYP GLY | n/a | n/a |
207 | 5DYO | - | FLU | C20 H12 O5 | c1ccc(c(c1.... |
208 | 4UIN | Kd = 24 nM | QI9 | C20 H24 N2 O2 | COc1ccc2c(.... |
209 | 3V0W | Kd = 32 nM | KDO KDO GM0 GM0 GLC GMH GLC GLA GLC PA1 | n/a | n/a |
210 | 3IFL | - | ASP ALA GLU PHE ARG HIS ASP | n/a | n/a |
211 | 3IFO | - | ASP ALA GLU PHE ARG HIS ASP | n/a | n/a |
212 | 2CGR | Kd = 53 nM | GAS | C23 H20 N4 O2 | c1ccc(cc1).... |
213 | 1YNK | - | SC5 | C18 H26 N4 O2 | C[C@H](c1c.... |
214 | 1I7Z | Kd = 0.4 uM | COC | C17 H21 N O4 | C[N@]1[C@H.... |
215 | 2O5Z | Kd = 110 mM | ANO | C19 H28 O2 | C[C@]12CCC.... |
216 | 25C8 | - | GEP | C19 H29 N2 O3 | C[N+]1(CCC.... |
217 | 35C8 | - | NOX | C18 H26 N2 O4 | c1cc(ccc1C.... |
218 | 1FL3 | Kd = 0.16 uM | SPB | C19 H19 N O3 | c1ccc(cc1).... |
219 | 3CFB | - | SPB | C19 H19 N O3 | c1ccc(cc1).... |
220 | 1UB5 | - | SPB | C19 H19 N O3 | c1ccc(cc1).... |
221 | 6LRA | Kd = 0.41 uM | VAL GLN ILE ILE ASN LYS | n/a | n/a |
222 | 1IND | Ka = 11000000000 M^-1 | EOT | C20 H28 N4 O9 S | c1cc(ccc1C.... |
223 | 1ZEA | Kd = 6 uM | DVA DPR GLY DSN DGN DHI DTY DAS DSN | n/a | n/a |
224 | 1MEX | - | RAC | C18 H18 N2 O5 | CN(C)C(=O).... |
225 | 1UM5 | - | SS1 | C8 H10 O | C[C@@H](c1.... |
226 | 1UM4 | - | SH4 | C17 H19 N O4 P | C[C@@H](c1.... |
227 | 1VPO | Kd = 0.000000064 M | TES | C19 H28 O2 | C[C@]12CC[.... |
228 | 1C5C | Kd = 110 nM | TK4 | C12 H11 N O7 S2 | CC(=O)Nc1c.... |
229 | 2PCP | Kd = 2 nM | 1PC | C17 H25 N | c1ccc(cc1).... |
230 | 1D6V | Kd = 670 nM | HOP | C23 H27 N O4 | c1ccc(cc1).... |
231 | 1Q0Y | Kd ~ 1 nM | MOI | C17 H19 N O3 | C[N@]1CC[C.... |
232 | 6CDO | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
233 | 6IDG | Kd = 0.000000064 M | 64T 5PY | n/a | n/a |
234 | 4YHK | ic50 = 4.6 nM | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
235 | 4YHM | Kd = 173 pM | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
236 | 4YHO | Kd = 18 pM | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
237 | 4YHI | ic50 = 4.6 nM | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
238 | 3O6M | Kd = 33 nM | PRO LYS LEU GLU PRO TRP LYS HIS PRO | n/a | n/a |
239 | 1IGJ | Kd = 0.1 nM | DGX | C41 H64 O14 | C[C@@H]1[C.... |
240 | 1UZ8 | Ka = 93000 M^-1 | MAG FUC GAL | n/a | n/a |
241 | 4ODT | - | GP1 Z9M | n/a | n/a |
242 | 1RUM | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
243 | 1ND0 | - | DP4 | C14 H23 N O Si | C[N+]1(CCC.... |
244 | 3LEY | - | LEU LEU GLU LEU ASP LYS TRP ALA NH2 | n/a | n/a |
245 | 1RUP | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
246 | 1RU9 | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
247 | 1RUL | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
248 | 3LEX | Kd = 6.44 nM | LEU LEU GLU LEU ASP LYS TRP ALA NH2 | n/a | n/a |
249 | 1RUK | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
250 | 1NCW | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
251 | 1RUA | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
252 | 6BE4 | - | NAG NAG NAG NAG NAG | n/a | n/a |
253 | 6BE3 | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GDP | 1 | 1 |
2 | GTP | 0.909091 | 1 |
3 | GP3 | 0.881579 | 0.973684 |
4 | GNH | 0.858974 | 0.986667 |
5 | GNP | 0.839506 | 0.973684 |
6 | 9GM | 0.839506 | 0.973684 |
7 | G | 0.828947 | 0.986486 |
8 | 5GP | 0.828947 | 0.986486 |
9 | G1R | 0.82716 | 0.986667 |
10 | GCP | 0.82716 | 0.973684 |
11 | GSP | 0.817073 | 0.948718 |
12 | GAV | 0.797619 | 0.961039 |
13 | GMV | 0.792683 | 0.973684 |
14 | G2P | 0.77381 | 0.961039 |
15 | G2R | 0.770115 | 0.961039 |
16 | GP2 | 0.756098 | 0.961039 |
17 | GDC | 0.747253 | 0.961039 |
18 | GDD | 0.747253 | 0.961039 |
19 | GKE | 0.747253 | 0.961039 |
20 | GPG | 0.741573 | 0.961039 |
21 | GDP BEF | 0.741176 | 0.935065 |
22 | GTP MG | 0.732558 | 0.96 |
23 | G3D | 0.732558 | 0.986486 |
24 | ALF 5GP | 0.729412 | 0.888889 |
25 | Y9Z | 0.728261 | 0.902439 |
26 | G5P | 0.723404 | 0.973684 |
27 | GFB | 0.72043 | 0.961039 |
28 | GTG | 0.72043 | 0.936709 |
29 | GDR | 0.72043 | 0.961039 |
30 | G4P | 0.715909 | 0.986486 |
31 | 6CK | 0.712766 | 0.936709 |
32 | G3A | 0.712766 | 0.973684 |
33 | GDP ALF | 0.7 | 0.888889 |
34 | GDP AF3 | 0.7 | 0.888889 |
35 | YGP | 0.698925 | 0.901235 |
36 | GKD | 0.697917 | 0.961039 |
37 | JB2 | 0.697917 | 0.961039 |
38 | GDX | 0.690722 | 0.973684 |
39 | GPD | 0.690722 | 0.925 |
40 | GMP | 0.684211 | 0.88 |
41 | 0O2 | 0.666667 | 0.986486 |
42 | JB3 | 0.656863 | 0.948718 |
43 | NGD | 0.650485 | 0.961039 |
44 | GDP 7MG | 0.636364 | 0.911392 |
45 | DGI | 0.636364 | 0.923077 |
46 | U2G | 0.634615 | 0.936709 |
47 | GPX | 0.634409 | 0.946667 |
48 | IDP | 0.632184 | 0.972973 |
49 | 2MD | 0.632075 | 0.891566 |
50 | CAG | 0.62963 | 0.880952 |
51 | KB7 | 0.629214 | 0.82716 |
52 | CG2 | 0.622642 | 0.936709 |
53 | FEG | 0.619048 | 0.879518 |
54 | MGD | 0.614679 | 0.891566 |
55 | ZGP | 0.613208 | 0.869048 |
56 | GH3 | 0.612903 | 0.973333 |
57 | 3GP | 0.611765 | 0.946667 |
58 | MD1 | 0.607143 | 0.891566 |
59 | PGD | 0.59292 | 0.925 |
60 | DGT | 0.591398 | 0.923077 |
61 | BGO | 0.588785 | 0.924051 |
62 | TPG | 0.582609 | 0.840909 |
63 | DBG | 0.582609 | 0.948718 |
64 | KBD | 0.581633 | 0.82716 |
65 | QBQ | 0.576087 | 0.986486 |
66 | 2GP | 0.574713 | 0.96 |
67 | FE9 | 0.570175 | 0.776596 |
68 | KBJ | 0.558824 | 0.797619 |
69 | MGP | 0.553191 | 0.961039 |
70 | G4M | 0.548387 | 0.880952 |
71 | 6G0 | 0.547368 | 0.961039 |
72 | I2C FE2 CMO CMO | 0.543103 | 0.808989 |
73 | G1R G1R | 0.542373 | 0.924051 |
74 | P2G | 0.527473 | 0.883117 |
75 | PGD O | 0.525 | 0.850575 |
76 | ADP | 0.522222 | 0.92 |
77 | R5I | 0.520833 | 0.946667 |
78 | R7I | 0.520833 | 0.946667 |
79 | GGM | 0.517544 | 0.901235 |
80 | DG | 0.516484 | 0.910256 |
81 | DGP | 0.516484 | 0.910256 |
82 | P1G | 0.516129 | 0.871795 |
83 | CZF | 0.515789 | 0.933333 |
84 | G1G | 0.508475 | 0.925 |
85 | IMP | 0.505495 | 0.959459 |
86 | AKW | 0.504425 | 0.890244 |
87 | G C | 0.504348 | 0.9 |
88 | GPC | 0.491525 | 0.879518 |
89 | G7M | 0.483871 | 0.948052 |
90 | 6AD | 0.479592 | 0.841463 |
91 | ATP | 0.473684 | 0.92 |
92 | HEJ | 0.473684 | 0.92 |
93 | G2Q | 0.471154 | 0.961039 |
94 | AQP | 0.46875 | 0.92 |
95 | 5FA | 0.46875 | 0.92 |
96 | GTA | 0.468468 | 0.936709 |
97 | 7DD | 0.468085 | 0.906667 |
98 | SGP | 0.463158 | 0.82716 |
99 | 01G | 0.462963 | 0.902439 |
100 | HFD | 0.459184 | 0.873418 |
101 | JSQ | 0.459184 | 0.873418 |
102 | B4P | 0.457447 | 0.894737 |
103 | AP5 | 0.457447 | 0.894737 |
104 | A2D | 0.456522 | 0.894737 |
105 | 6YZ | 0.455446 | 0.896104 |
106 | ACQ | 0.454545 | 0.896104 |
107 | ANP | 0.454545 | 0.896104 |
108 | 5GP 5GP | 0.454545 | 0.883117 |
109 | AT4 | 0.452632 | 0.884615 |
110 | APC G U | 0.451613 | 0.886076 |
111 | PRT | 0.449541 | 0.959459 |
112 | ITT | 0.447917 | 0.868421 |
113 | BA3 | 0.446809 | 0.894737 |
114 | C2E | 0.444444 | 0.921053 |
115 | 35G | 0.444444 | 0.933333 |
116 | PCG | 0.444444 | 0.933333 |
117 | MGO | 0.441176 | 0.864198 |
118 | AN2 | 0.4375 | 0.907895 |
119 | NO7 | 0.436893 | 0.860759 |
120 | M33 | 0.43299 | 0.883117 |
121 | UCG | 0.429688 | 0.911392 |
122 | ACP | 0.428571 | 0.896104 |
123 | MGQ | 0.424528 | 0.935897 |
124 | APR | 0.424242 | 0.894737 |
125 | 7DT | 0.424242 | 0.906667 |
126 | AR6 | 0.424242 | 0.894737 |
127 | M7G A2M G | 0.422819 | 0.808989 |
128 | 93A | 0.42268 | 0.833333 |
129 | A4P | 0.420168 | 0.869048 |
130 | G8D | 0.42 | 0.875 |
131 | AD9 | 0.42 | 0.896104 |
132 | AGS | 0.42 | 0.873418 |
133 | CA0 | 0.418367 | 0.896104 |
134 | ATF | 0.417476 | 0.884615 |
135 | NYZ | 0.415842 | 0.935897 |
136 | GZ0 | 0.415254 | 0.948718 |
137 | AGO | 0.414634 | 0.888889 |
138 | KG4 | 0.414141 | 0.896104 |
139 | NIA | 0.413043 | 0.82716 |
140 | MGV | 0.412844 | 0.890244 |
141 | TAT | 0.411765 | 0.884615 |
142 | T99 | 0.411765 | 0.884615 |
143 | ADQ | 0.411215 | 0.871795 |
144 | A1R | 0.411215 | 0.839506 |
145 | RGT | 0.410714 | 0.909091 |
146 | CGP | 0.409836 | 0.86747 |
147 | HQG | 0.409524 | 0.907895 |
148 | C1Z | 0.409091 | 0.986486 |
149 | AMP | 0.408602 | 0.893333 |
150 | A | 0.408602 | 0.893333 |
151 | UP5 | 0.40678 | 0.873418 |
152 | C2R | 0.406593 | 0.906667 |
153 | AMZ | 0.406593 | 0.918919 |
154 | JBT | 0.405882 | 0.778947 |
155 | A22 | 0.40566 | 0.907895 |
156 | 25L | 0.405405 | 0.907895 |
157 | ADX | 0.40404 | 0.809524 |
158 | 8OD | 0.401961 | 0.946667 |
159 | 50T | 0.4 | 0.883117 |
160 | 4TC | 0.4 | 0.851852 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADP MG | 0.9864 |
2 | GDP MG | 0.9797 |
3 | DAT | 0.9680 |
4 | ALF GDP | 0.9549 |
5 | A12 | 0.9524 |
6 | BEF GDP | 0.9486 |
7 | AU1 | 0.9476 |
8 | CUU | 0.9442 |
9 | SON | 0.9417 |
10 | TYD | 0.9414 |
11 | M7G | 0.9411 |
12 | ADP ALF | 0.9391 |
13 | ADP BEF | 0.9391 |
14 | ADP AF3 | 0.9391 |
15 | BEF ADP | 0.9383 |
16 | GAP | 0.9328 |
17 | O02 | 0.9303 |
18 | G5A | 0.9285 |
19 | AP2 | 0.9265 |
20 | 5AL | 0.9252 |
21 | 8GD | 0.9250 |
22 | M7M | 0.9212 |
23 | AV2 | 0.9211 |
24 | DAL AMP | 0.9209 |
25 | PRX | 0.9194 |
26 | UDP | 0.9193 |
27 | 8LE | 0.9188 |
28 | SRP | 0.9155 |
29 | SAM | 0.9145 |
30 | A5A | 0.9126 |
31 | GJV | 0.9116 |
32 | NWZ | 0.9106 |
33 | CDP | 0.9093 |
34 | MGT | 0.9090 |
35 | YYY | 0.9086 |
36 | 5CA | 0.9069 |
37 | XMP | 0.9066 |
38 | EO7 | 0.9060 |
39 | SSA | 0.9052 |
40 | DSH | 0.9051 |
41 | 71V | 0.9041 |
42 | 2A5 | 0.8973 |
43 | TBD | 0.8937 |
44 | CDP MG | 0.8931 |
45 | SAH | 0.8927 |
46 | IMU | 0.8919 |
47 | 6RE | 0.8917 |
48 | J7C | 0.8916 |
49 | 7D3 | 0.8915 |
50 | 8LH | 0.8914 |
51 | DUD | 0.8888 |
52 | NX8 | 0.8885 |
53 | 6CG | 0.8882 |
54 | ABM | 0.8881 |
55 | 8X1 | 0.8861 |
56 | FMP | 0.8855 |
57 | LMS | 0.8847 |
58 | 8GM | 0.8842 |
59 | DTP | 0.8842 |
60 | D4D | 0.8817 |
61 | C8M | 0.8813 |
62 | EEM | 0.8812 |
63 | SFG | 0.8795 |
64 | 8OP | 0.8780 |
65 | ADP PO3 | 0.8775 |
66 | D5M | 0.8773 |
67 | IRP | 0.8767 |
68 | PAP | 0.8765 |
69 | HDV | 0.8759 |
70 | ATR | 0.8755 |
71 | APC | 0.8746 |
72 | N5O | 0.8734 |
73 | A3N | 0.8728 |
74 | AS | 0.8705 |
75 | ATY | 0.8684 |
76 | 54H | 0.8676 |
77 | TSB | 0.8674 |
78 | ME8 | 0.8672 |
79 | HF7 | 0.8667 |
80 | 6MA | 0.8654 |
81 | SAI | 0.8651 |
82 | DUN | 0.8649 |
83 | LSS | 0.8640 |
84 | 5FU | 0.8638 |
85 | P5A | 0.8634 |
86 | 8QN | 0.8633 |
87 | DZ4 | 0.8609 |
88 | CNU | 0.8603 |
89 | NVA LMS | 0.8600 |
90 | FNU | 0.8593 |
91 | TKW | 0.8580 |
92 | MOD | 0.8567 |
93 | MSP | 0.8549 |
This union binding pocket(no: 1) in the query (biounit: 1mre.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |