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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 | EST | 1 | 1 |
2 | ECS | 0.626866 | 0.916667 |
3 | ESL | 0.614286 | 0.916667 |
4 | ESM | 0.597222 | 0.868421 |
5 | ESZ | 0.597222 | 0.837838 |
6 | 6WV | 0.582278 | 0.738095 |
7 | 6WW | 0.582278 | 0.608696 |
8 | J3Z | 0.56338 | 0.882353 |
9 | HE7 | 0.547619 | 0.846154 |
10 | 3WF | 0.546667 | 0.942857 |
11 | 6WM | 0.518072 | 0.885714 |
12 | 7FQ | 0.505882 | 0.794872 |
13 | E2B | 0.467391 | 0.688889 |
14 | 7EE | 0.465909 | 0.75 |
15 | 6WN | 0.45977 | 0.763158 |
16 | 7FR | 0.454545 | 0.622222 |
17 | EED | 0.451219 | 0.785714 |
18 | EZT | 0.412371 | 0.825 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | EQU | 0.9958 |
2 | 6VW | 0.9889 |
3 | ESR | 0.9809 |
4 | 17M | 0.9781 |
5 | AOM | 0.9751 |
6 | DHT | 0.9681 |
7 | CUE | 0.9638 |
8 | AOI | 0.9629 |
9 | AOX | 0.9595 |
10 | R18 | 0.9594 |
11 | 5SD | 0.9586 |
12 | TES | 0.9542 |
13 | ASD | 0.9528 |
14 | AND | 0.9445 |
15 | 7G0 | 0.9365 |
16 | NQ8 | 0.9341 |
17 | AON | 0.9334 |
18 | 1DR | 0.9323 |
19 | CX6 | 0.9304 |
20 | 397 | 0.9281 |
21 | PIQ | 0.9268 |
22 | EES | 0.9266 |
23 | 17H | 0.9251 |
24 | ANB | 0.9225 |
25 | 272 | 0.9223 |
26 | 789 | 0.9220 |
27 | 1V4 | 0.9219 |
28 | 18E | 0.9214 |
29 | 9CE | 0.9197 |
30 | GEN | 0.9174 |
31 | 0OK | 0.9168 |
32 | IXM | 0.9165 |
33 | STR | 0.9155 |
34 | 1YL | 0.9152 |
35 | 801 | 0.9152 |
36 | 0UL | 0.9145 |
37 | 4AU | 0.9145 |
38 | 1V3 | 0.9136 |
39 | 20D | 0.9134 |
40 | PRL | 0.9131 |
41 | 8SK | 0.9126 |
42 | M3F | 0.9126 |
43 | 1V1 | 0.9125 |
44 | NDR | 0.9119 |
45 | 0FR | 0.9116 |
46 | A73 | 0.9110 |
47 | 1HP | 0.9105 |
48 | Q0K | 0.9099 |
49 | 5OR | 0.9097 |
50 | 40N | 0.9093 |
51 | 0NJ | 0.9092 |
52 | YZ9 | 0.9089 |
53 | NDD | 0.9081 |
54 | LIG | 0.9080 |
55 | DX2 | 0.9080 |
56 | 47X | 0.9075 |
57 | DFL | 0.9073 |
58 | G2V | 0.9073 |
59 | PLO | 0.9065 |
60 | 6BK | 0.9057 |
61 | NEU | 0.9055 |
62 | RHN | 0.9055 |
63 | BRY | 0.9047 |
64 | CR4 | 0.9045 |
65 | 4CN | 0.9043 |
66 | 2J1 | 0.9042 |
67 | ZTW | 0.9036 |
68 | L2K | 0.9036 |
69 | IQZ | 0.9034 |
70 | WV7 | 0.9034 |
71 | NRA | 0.9032 |
72 | AP6 | 0.9028 |
73 | 0DF | 0.9023 |
74 | RSV | 0.9021 |
75 | 7EH | 0.9016 |
76 | 6DQ | 0.9015 |
77 | 6ZE | 0.9011 |
78 | 4NR | 0.9008 |
79 | 5XL | 0.8999 |
80 | 124 | 0.8999 |
81 | X2M | 0.8994 |
82 | 25F | 0.8993 |
83 | OPA | 0.8989 |
84 | JF8 | 0.8988 |
85 | IQW | 0.8987 |
86 | F40 | 0.8986 |
87 | II4 | 0.8982 |
88 | ZSP | 0.8979 |
89 | 7L4 | 0.8979 |
90 | 120 | 0.8978 |
91 | OLU | 0.8976 |
92 | 39Z | 0.8975 |
93 | 2QU | 0.8974 |
94 | DX7 | 0.8973 |
95 | K7H | 0.8967 |
96 | CMP | 0.8965 |
97 | 5AD | 0.8964 |
98 | 5VU | 0.8962 |
99 | LFN | 0.8962 |
100 | OTA | 0.8961 |
101 | HRD | 0.8961 |
102 | 6FB | 0.8959 |
103 | 3D8 | 0.8957 |
104 | XYP XYP | 0.8956 |
105 | 1V8 | 0.8950 |
106 | AXX | 0.8946 |
107 | LUM | 0.8945 |
108 | 3F4 | 0.8945 |
109 | AQN | 0.8943 |
110 | FSE | 0.8943 |
111 | RGK | 0.8937 |
112 | VUP | 0.8937 |
113 | 27F | 0.8936 |
114 | SZ5 | 0.8934 |
115 | BIO | 0.8934 |
116 | ADN | 0.8933 |
117 | 2WU | 0.8925 |
118 | BMZ | 0.8924 |
119 | NKI | 0.8924 |
120 | 7FZ | 0.8923 |
121 | 1FL | 0.8922 |
122 | 2GQ | 0.8922 |
123 | 1XS | 0.8918 |
124 | 3SU | 0.8916 |
125 | 4ZF | 0.8916 |
126 | AO | 0.8915 |
127 | XYS XYS | 0.8912 |
128 | KP2 | 0.8910 |
129 | M3W | 0.8908 |
130 | 833 | 0.8907 |
131 | 2PV | 0.8906 |
132 | WLH | 0.8904 |
133 | MBT | 0.8903 |
134 | XYS XYP | 0.8903 |
135 | AZN | 0.8901 |
136 | Z21 | 0.8901 |
137 | WG8 | 0.8898 |
138 | 6QT | 0.8898 |
139 | IDZ | 0.8894 |
140 | Q8G | 0.8893 |
141 | 5ER | 0.8892 |
142 | EMO | 0.8890 |
143 | 2P3 | 0.8889 |
144 | 2PK | 0.8886 |
145 | P4L | 0.8884 |
146 | DX8 | 0.8881 |
147 | D9Z | 0.8881 |
148 | 122 | 0.8880 |
149 | NEO | 0.8880 |
150 | 79X | 0.8880 |
151 | 0LA | 0.8877 |
152 | BXS | 0.8875 |
153 | 3WL | 0.8874 |
154 | 1EL | 0.8872 |
155 | 6WL | 0.8871 |
156 | 5SJ | 0.8871 |
157 | E1K | 0.8870 |
158 | 3UG | 0.8869 |
159 | QNM | 0.8868 |
160 | JRO | 0.8867 |
161 | 28A | 0.8867 |
162 | E6Q | 0.8864 |
163 | H4B | 0.8864 |
164 | A05 | 0.8863 |
165 | HH6 | 0.8860 |
166 | 2QV | 0.8860 |
167 | QS4 | 0.8855 |
168 | C4E | 0.8855 |
169 | JOB | 0.8854 |
170 | 19E | 0.8853 |
171 | HRM | 0.8853 |
172 | 38E | 0.8851 |
173 | LI7 | 0.8851 |
174 | S98 | 0.8850 |
175 | YE6 | 0.8850 |
176 | DY9 | 0.8849 |
177 | AGI | 0.8848 |
178 | FFA | 0.8848 |
179 | A9B | 0.8845 |
180 | C0V | 0.8844 |
181 | 0SY | 0.8844 |
182 | 7FU | 0.8842 |
183 | 6JO | 0.8841 |
184 | 7EL | 0.8840 |
185 | SDN | 0.8840 |
186 | 7G2 | 0.8838 |
187 | 8M5 | 0.8836 |
188 | A63 | 0.8834 |
189 | MPU | 0.8833 |
190 | NPS | 0.8831 |
191 | NIF | 0.8829 |
192 | COL | 0.8828 |
193 | LR8 | 0.8827 |
194 | E9L | 0.8827 |
195 | 26C | 0.8823 |
196 | FXE | 0.8820 |
197 | CHQ | 0.8819 |
198 | SQM | 0.8818 |
199 | DBE | 0.8815 |
200 | MR4 | 0.8812 |
201 | 5NN | 0.8811 |
202 | EAE | 0.8811 |
203 | 5E5 | 0.8810 |
204 | 135 | 0.8809 |
205 | 08C | 0.8808 |
206 | CZ0 | 0.8808 |
207 | H2W | 0.8807 |
208 | 2JX | 0.8806 |
209 | KW7 | 0.8806 |
210 | VT3 | 0.8804 |
211 | A5Q | 0.8800 |
212 | HNT | 0.8799 |
213 | 4GU | 0.8799 |
214 | 1UZ | 0.8798 |
215 | AJ1 | 0.8796 |
216 | B61 | 0.8795 |
217 | 27M | 0.8795 |
218 | MR5 | 0.8795 |
219 | CDJ | 0.8795 |
220 | OAL | 0.8792 |
221 | Z25 | 0.8788 |
222 | DDC | 0.8786 |
223 | RF2 | 0.8784 |
224 | ESJ | 0.8784 |
225 | 609 | 0.8780 |
226 | ZRK | 0.8778 |
227 | BIH | 0.8776 |
228 | H2B | 0.8775 |
229 | HBI | 0.8775 |
230 | 5WK | 0.8773 |
231 | 245 | 0.8772 |
232 | 6JM | 0.8772 |
233 | W8L | 0.8772 |
234 | 9TF | 0.8771 |
235 | DXK | 0.8765 |
236 | M83 | 0.8763 |
237 | 4AB | 0.8761 |
238 | LU2 | 0.8759 |
239 | 1WO | 0.8759 |
240 | AVX | 0.8759 |
241 | BGU | 0.8757 |
242 | ADL | 0.8756 |
243 | UAY | 0.8756 |
244 | SAU | 0.8754 |
245 | A5H | 0.8752 |
246 | 7AP | 0.8751 |
247 | A6W | 0.8750 |
248 | H52 | 0.8750 |
249 | FQX | 0.8750 |
250 | PQM | 0.8747 |
251 | AJG | 0.8746 |
252 | BBY | 0.8743 |
253 | 9JT | 0.8741 |
254 | 3VS | 0.8741 |
255 | 1FE | 0.8738 |
256 | 0K7 | 0.8737 |
257 | 68C | 0.8737 |
258 | 1V0 | 0.8736 |
259 | HHS | 0.8732 |
260 | W23 | 0.8729 |
261 | 6EL | 0.8729 |
262 | EF2 | 0.8727 |
263 | 802 | 0.8727 |
264 | ZRL | 0.8727 |
265 | B21 | 0.8726 |
266 | NOG | 0.8726 |
267 | 1CA | 0.8724 |
268 | GAL FUC | 0.8722 |
269 | KU1 | 0.8721 |
270 | 3GX | 0.8719 |
271 | 91F | 0.8718 |
272 | AUG | 0.8716 |
273 | 68B | 0.8716 |
274 | 9KZ | 0.8715 |
275 | 5TY | 0.8715 |
276 | WCU | 0.8712 |
277 | JMG | 0.8710 |
278 | 6TJ | 0.8710 |
279 | 657 | 0.8710 |
280 | 3AK | 0.8709 |
281 | RFZ | 0.8708 |
282 | S60 | 0.8708 |
283 | EI1 | 0.8705 |
284 | 907 | 0.8705 |
285 | AUE | 0.8704 |
286 | F18 | 0.8701 |
287 | JCZ | 0.8700 |
288 | DRG | 0.8699 |
289 | BHS | 0.8699 |
290 | NOM | 0.8698 |
291 | EZL | 0.8697 |
292 | TXQ | 0.8696 |
293 | XCG | 0.8694 |
294 | 5WW | 0.8693 |
295 | QUE | 0.8691 |
296 | JGB | 0.8691 |
297 | DEH | 0.8690 |
298 | 1R5 | 0.8687 |
299 | NAR | 0.8687 |
300 | YE7 | 0.8685 |
301 | 334 | 0.8685 |
302 | M78 | 0.8684 |
303 | CNI | 0.8683 |
304 | ITE | 0.8678 |
305 | KMP | 0.8678 |
306 | 797 | 0.8678 |
307 | 5TT | 0.8676 |
308 | SNJ | 0.8676 |
309 | 6WR | 0.8676 |
310 | CTN | 0.8675 |
311 | LR2 | 0.8675 |
312 | T98 | 0.8674 |
313 | Y3L | 0.8671 |
314 | IIH | 0.8669 |
315 | 72E | 0.8668 |
316 | 338 | 0.8666 |
317 | PDN | 0.8665 |
318 | UN9 | 0.8665 |
319 | WS6 | 0.8662 |
320 | O9Z | 0.8661 |
321 | 47V | 0.8661 |
322 | JAH | 0.8661 |
323 | 0MB | 0.8660 |
324 | MQR | 0.8659 |
325 | E3U | 0.8658 |
326 | 5V7 | 0.8656 |
327 | TID | 0.8656 |
328 | FNT | 0.8653 |
329 | FHV | 0.8651 |
330 | 97K | 0.8651 |
331 | 1UR | 0.8650 |
332 | ETC | 0.8649 |
333 | 78Y | 0.8648 |
334 | WA1 | 0.8647 |
335 | 1CE | 0.8647 |
336 | 1AJ | 0.8647 |
337 | LC1 | 0.8646 |
338 | CX5 | 0.8643 |
339 | 041 | 0.8643 |
340 | A64 | 0.8643 |
341 | CWE | 0.8641 |
342 | JBZ | 0.8640 |
343 | 697 | 0.8637 |
344 | U13 | 0.8636 |
345 | 8D6 | 0.8635 |
346 | QIV | 0.8635 |
347 | J84 | 0.8633 |
348 | J38 | 0.8630 |
349 | 15Q | 0.8630 |
350 | 196 | 0.8629 |
351 | BA5 | 0.8629 |
352 | RDT | 0.8628 |
353 | G1L | 0.8627 |
354 | 4HG | 0.8627 |
355 | 1OT | 0.8626 |
356 | WSD | 0.8619 |
357 | PJK | 0.8615 |
358 | HWB | 0.8614 |
359 | CU8 | 0.8613 |
360 | GNJ | 0.8613 |
361 | 1EB | 0.8613 |
362 | B52 | 0.8608 |
363 | L1T | 0.8607 |
364 | Z3R | 0.8603 |
365 | 1Q2 | 0.8603 |
366 | 90G | 0.8601 |
367 | 2K8 | 0.8601 |
368 | Y70 | 0.8597 |
369 | 72D | 0.8596 |
370 | TFX | 0.8596 |
371 | SJK | 0.8596 |
372 | E3X | 0.8595 |
373 | MRE | 0.8594 |
374 | B2E | 0.8591 |
375 | B7H | 0.8589 |
376 | BSU | 0.8589 |
377 | Q9T | 0.8586 |
378 | TRU | 0.8578 |
379 | 1UT | 0.8576 |
380 | MJW | 0.8571 |
381 | FT2 | 0.8570 |
382 | MR6 | 0.8569 |
383 | NYJ | 0.8565 |
384 | 4P9 | 0.8564 |
385 | 6P3 | 0.8561 |
386 | TYP | 0.8560 |
387 | 5XM | 0.8557 |
388 | A26 | 0.8556 |
389 | Q7U | 0.8554 |
390 | NE1 | 0.8553 |
391 | PMP | 0.8552 |
392 | 363 | 0.8550 |
393 | QBP | 0.8550 |
394 | 4FC | 0.8549 |
395 | KN1 | 0.8548 |
396 | O53 | 0.8546 |
397 | 9Y8 | 0.8543 |
398 | 2AN | 0.8537 |
399 | B98 | 0.8533 |
400 | 52F | 0.8533 |
401 | BJ4 | 0.8522 |
402 | BGC BGC | 0.8513 |
403 | KMY | 0.8510 |
This union binding pocket(no: 1) in the query (biounit: 1jgl.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |