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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 | TPM | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 11X | 0.9618 |
2 | OJD | 0.9534 |
3 | 22F | 0.9518 |
4 | OLU | 0.9484 |
5 | N2Y | 0.9455 |
6 | DBE | 0.9451 |
7 | A8K | 0.9447 |
8 | A51 | 0.9420 |
9 | S0F | 0.9417 |
10 | 848 | 0.9415 |
11 | GJB | 0.9407 |
12 | 3IP | 0.9402 |
13 | H48 | 0.9373 |
14 | IEE | 0.9372 |
15 | BSU | 0.9369 |
16 | 0OL | 0.9350 |
17 | XI7 | 0.9349 |
18 | KPV | 0.9341 |
19 | S46 | 0.9340 |
20 | BZQ | 0.9334 |
21 | SFY | 0.9333 |
22 | BZM | 0.9330 |
23 | U13 | 0.9327 |
24 | D4G | 0.9315 |
25 | 68B | 0.9310 |
26 | G8V | 0.9309 |
27 | SOJ | 0.9307 |
28 | R7T | 0.9306 |
29 | DCN | 0.9304 |
30 | 9JH | 0.9299 |
31 | 8OB | 0.9297 |
32 | MJW | 0.9296 |
33 | STL | 0.9292 |
34 | JF5 | 0.9290 |
35 | F18 | 0.9288 |
36 | 0UL | 0.9287 |
37 | 9JT | 0.9281 |
38 | KLS | 0.9280 |
39 | BGK | 0.9271 |
40 | GJG | 0.9269 |
41 | SJR | 0.9268 |
42 | RE4 | 0.9268 |
43 | 7EH | 0.9263 |
44 | AOY | 0.9258 |
45 | YIP | 0.9257 |
46 | EXG | 0.9257 |
47 | LR2 | 0.9250 |
48 | C6Z | 0.9248 |
49 | EQW | 0.9246 |
50 | A9B | 0.9240 |
51 | YTZ | 0.9233 |
52 | CUH | 0.9229 |
53 | V15 | 0.9229 |
54 | LZ5 | 0.9229 |
55 | HX8 | 0.9219 |
56 | RE2 | 0.9217 |
57 | 4FP | 0.9216 |
58 | ERZ | 0.9212 |
59 | P93 | 0.9212 |
60 | C4E | 0.9207 |
61 | YIH | 0.9204 |
62 | 0NJ | 0.9197 |
63 | 2J5 | 0.9193 |
64 | A7Q | 0.9191 |
65 | 2M7 | 0.9190 |
66 | S0A | 0.9190 |
67 | J4K | 0.9189 |
68 | 8OE | 0.9188 |
69 | T07 | 0.9185 |
70 | MJ5 | 0.9183 |
71 | 1Q2 | 0.9181 |
72 | SB7 | 0.9177 |
73 | 2PV | 0.9171 |
74 | FCW | 0.9171 |
75 | 6C4 | 0.9171 |
76 | 5PV | 0.9170 |
77 | 94X | 0.9166 |
78 | 9VQ | 0.9163 |
79 | 6C8 | 0.9162 |
80 | GNW | 0.9159 |
81 | NAL | 0.9154 |
82 | CBE | 0.9153 |
83 | 2PK | 0.9153 |
84 | QME | 0.9150 |
85 | 6FG | 0.9148 |
86 | 833 | 0.9138 |
87 | WCU | 0.9133 |
88 | LL2 | 0.9132 |
89 | 6H2 | 0.9130 |
90 | 0OM | 0.9129 |
91 | 08D | 0.9127 |
92 | 5O5 | 0.9122 |
93 | 5VU | 0.9121 |
94 | TCL | 0.9121 |
95 | 0OP | 0.9121 |
96 | 0SY | 0.9120 |
97 | HPK | 0.9119 |
98 | S0B | 0.9115 |
99 | 0QA | 0.9114 |
100 | HXY | 0.9113 |
101 | PZX | 0.9113 |
102 | D8Y | 0.9108 |
103 | 6C9 | 0.9107 |
104 | 0XR | 0.9107 |
105 | N9M | 0.9105 |
106 | RNK | 0.9104 |
107 | 4CN | 0.9104 |
108 | S0D | 0.9102 |
109 | 7ZO | 0.9100 |
110 | 5TO | 0.9093 |
111 | 5NR | 0.9093 |
112 | L12 | 0.9092 |
113 | HLP | 0.9091 |
114 | FHV | 0.9091 |
115 | TCC | 0.9087 |
116 | BVB | 0.9087 |
117 | 4EU | 0.9086 |
118 | 6J5 | 0.9085 |
119 | 1YO | 0.9084 |
120 | FY8 | 0.9083 |
121 | 0ON | 0.9082 |
122 | 83D | 0.9081 |
123 | AX5 | 0.9078 |
124 | 6C5 | 0.9074 |
125 | CUQ | 0.9073 |
126 | XCG | 0.9072 |
127 | 0OY | 0.9072 |
128 | 4Z0 | 0.9069 |
129 | 4YZ | 0.9069 |
130 | 1HR | 0.9069 |
131 | 0QR | 0.9055 |
132 | A6H | 0.9052 |
133 | D1Y | 0.9050 |
134 | 0X2 | 0.9049 |
135 | I2E | 0.9042 |
136 | 27K | 0.9036 |
137 | FPL | 0.9035 |
138 | H35 | 0.9033 |
139 | PHQ DAL | 0.9032 |
140 | B5A | 0.9026 |
141 | LVP | 0.9024 |
142 | VJJ | 0.9018 |
143 | D25 | 0.9013 |
144 | DP4 | 0.9012 |
145 | CH8 | 0.9009 |
146 | 2L1 | 0.9008 |
147 | NK5 | 0.9007 |
148 | BVS | 0.9005 |
149 | DI9 | 0.9001 |
150 | 0QX | 0.8997 |
151 | 3KJ | 0.8992 |
152 | JCQ | 0.8987 |
153 | JOT | 0.8986 |
154 | FZ3 | 0.8986 |
155 | 4Z1 | 0.8985 |
156 | G14 | 0.8981 |
157 | 5C1 | 0.8974 |
158 | P2L | 0.8972 |
159 | 2JX | 0.8972 |
160 | SVG | 0.8971 |
161 | HPZ | 0.8968 |
162 | 3VW | 0.8966 |
163 | 28A | 0.8965 |
164 | EMU | 0.8964 |
165 | IW4 | 0.8963 |
166 | RV1 | 0.8963 |
167 | TRP | 0.8963 |
168 | MKN | 0.8958 |
169 | 2P3 | 0.8957 |
170 | 4CF | 0.8956 |
171 | OGY | 0.8951 |
172 | EQA | 0.8945 |
173 | 12R | 0.8945 |
174 | TOH | 0.8945 |
175 | M4N | 0.8944 |
176 | 613 | 0.8942 |
177 | 4P9 | 0.8941 |
178 | XYP XYP | 0.8941 |
179 | FB4 | 0.8941 |
180 | D26 | 0.8940 |
181 | 5S9 | 0.8940 |
182 | ARG | 0.8939 |
183 | GHQ | 0.8936 |
184 | 1PS | 0.8934 |
185 | PFT | 0.8933 |
186 | 38E | 0.8931 |
187 | LJ4 | 0.8931 |
188 | LTN | 0.8931 |
189 | 7VY | 0.8930 |
190 | SX2 | 0.8930 |
191 | P4T | 0.8930 |
192 | F91 | 0.8929 |
193 | HJD | 0.8928 |
194 | YIE | 0.8926 |
195 | 6DQ | 0.8925 |
196 | KYN | 0.8924 |
197 | ITW | 0.8924 |
198 | JFM | 0.8923 |
199 | XDL XYP | 0.8923 |
200 | AVA | 0.8922 |
201 | CIU | 0.8922 |
202 | LVY | 0.8915 |
203 | Q8G | 0.8915 |
204 | 4AU | 0.8912 |
205 | HAR | 0.8912 |
206 | S7D | 0.8908 |
207 | XYS XYS | 0.8907 |
208 | IPJ | 0.8903 |
209 | JVD | 0.8902 |
210 | IJ6 | 0.8901 |
211 | PQS | 0.8899 |
212 | 0OO | 0.8897 |
213 | XRS | 0.8897 |
214 | 4JK | 0.8896 |
215 | 96Z | 0.8896 |
216 | HPX | 0.8894 |
217 | T03 | 0.8893 |
218 | MFY | 0.8888 |
219 | 47V | 0.8886 |
220 | ENG | 0.8884 |
221 | LR8 | 0.8884 |
222 | 5ER | 0.8883 |
223 | 27M | 0.8883 |
224 | DA3 | 0.8880 |
225 | AX4 | 0.8878 |
226 | A18 | 0.8877 |
227 | XIF XYP | 0.8875 |
228 | 8CV | 0.8874 |
229 | RDV | 0.8873 |
230 | 5R8 | 0.8871 |
231 | SCE | 0.8871 |
232 | 531 | 0.8870 |
233 | 4ZF | 0.8860 |
234 | 5KJ | 0.8855 |
235 | 5R9 | 0.8855 |
236 | 1Q1 | 0.8854 |
237 | EV2 | 0.8851 |
238 | U55 | 0.8849 |
239 | XYP XDN | 0.8848 |
240 | 0QV | 0.8846 |
241 | XYS XYP | 0.8846 |
242 | D53 | 0.8841 |
243 | CIR | 0.8841 |
244 | 9AG | 0.8840 |
245 | EAT | 0.8840 |
246 | 1XS | 0.8838 |
247 | E9P | 0.8838 |
248 | GGB | 0.8835 |
249 | D2S | 0.8834 |
250 | FT6 | 0.8832 |
251 | N5B | 0.8831 |
252 | YE6 | 0.8829 |
253 | 6FR | 0.8829 |
254 | D2G | 0.8828 |
255 | 0OK | 0.8827 |
256 | E9S | 0.8826 |
257 | F63 | 0.8826 |
258 | JPQ | 0.8826 |
259 | 3CX | 0.8823 |
260 | ESE | 0.8822 |
261 | XYP XIF | 0.8822 |
262 | IPO | 0.8820 |
263 | DA2 | 0.8818 |
264 | 536 | 0.8817 |
265 | 00G | 0.8816 |
266 | EYY | 0.8815 |
267 | 3S9 | 0.8814 |
268 | JPB | 0.8814 |
269 | XYP XYS | 0.8814 |
270 | 37E | 0.8813 |
271 | OJM | 0.8810 |
272 | 0MB | 0.8809 |
273 | CT0 | 0.8808 |
274 | HL6 | 0.8808 |
275 | ESJ | 0.8808 |
276 | KAP | 0.8805 |
277 | 5TT | 0.8805 |
278 | DHC | 0.8804 |
279 | PUE | 0.8802 |
280 | M5B | 0.8797 |
281 | MYT | 0.8794 |
282 | 3VR | 0.8789 |
283 | C82 | 0.8785 |
284 | 4TB | 0.8785 |
285 | 7XX | 0.8782 |
286 | 6T5 | 0.8781 |
287 | 5M2 | 0.8778 |
288 | DX6 | 0.8778 |
289 | XRX | 0.8775 |
290 | 3IB | 0.8774 |
291 | WT2 | 0.8772 |
292 | C1E | 0.8772 |
293 | TYP | 0.8771 |
294 | API | 0.8771 |
295 | 14N | 0.8769 |
296 | PHQ ALA | 0.8765 |
297 | DFL | 0.8765 |
298 | 7N8 | 0.8765 |
299 | ILO | 0.8761 |
300 | BSA | 0.8761 |
301 | RF2 | 0.8760 |
302 | BC3 | 0.8758 |
303 | 1A5 | 0.8758 |
304 | DE7 | 0.8757 |
305 | HS6 | 0.8757 |
306 | Q4G | 0.8755 |
307 | 6MW | 0.8754 |
308 | LPA | 0.8752 |
309 | 5WK | 0.8751 |
310 | H0V | 0.8750 |
311 | 2L2 | 0.8744 |
312 | S45 | 0.8742 |
313 | 8YH | 0.8742 |
314 | C0E | 0.8739 |
315 | AVX | 0.8739 |
316 | STV | 0.8738 |
317 | ALY | 0.8737 |
318 | HRG | 0.8735 |
319 | XIL | 0.8734 |
320 | HDI | 0.8733 |
321 | IJ4 | 0.8732 |
322 | N9J | 0.8732 |
323 | EEK | 0.8732 |
324 | REG | 0.8731 |
325 | C4F | 0.8730 |
326 | DAR | 0.8729 |
327 | VIB | 0.8729 |
328 | KUP | 0.8729 |
329 | 1AJ | 0.8728 |
330 | RK4 | 0.8727 |
331 | WDW | 0.8727 |
332 | KWB | 0.8726 |
333 | ZEZ | 0.8724 |
334 | AP6 | 0.8723 |
335 | 4KJ | 0.8722 |
336 | EDG AHR | 0.8721 |
337 | S8P | 0.8721 |
338 | 8CC | 0.8719 |
339 | AX6 | 0.8717 |
340 | JON | 0.8716 |
341 | JGY | 0.8715 |
342 | Z70 | 0.8714 |
343 | J1K | 0.8712 |
344 | JE7 | 0.8710 |
345 | 3VQ | 0.8708 |
346 | SB9 | 0.8703 |
347 | JBB | 0.8703 |
348 | D1G | 0.8702 |
349 | OUL | 0.8702 |
350 | 6SY | 0.8701 |
351 | LZ4 | 0.8699 |
352 | KLE | 0.8699 |
353 | ZE7 | 0.8698 |
354 | XDN XYP | 0.8696 |
355 | HMZ | 0.8693 |
356 | C53 | 0.8692 |
357 | 0V7 | 0.8691 |
358 | 4ZD | 0.8689 |
359 | JMG | 0.8686 |
360 | IJ1 | 0.8684 |
361 | VGV | 0.8684 |
362 | MW5 | 0.8683 |
363 | C0H | 0.8682 |
364 | 7R4 | 0.8680 |
365 | 9J6 | 0.8679 |
366 | NFZ | 0.8676 |
367 | 3GZ | 0.8674 |
368 | 6WR | 0.8674 |
369 | HH6 | 0.8674 |
370 | 1A6 | 0.8671 |
371 | M5P | 0.8669 |
372 | Q8D | 0.8668 |
373 | 8KW | 0.8666 |
374 | ZYC | 0.8665 |
375 | DBS | 0.8665 |
376 | CC7 | 0.8660 |
377 | L2K | 0.8659 |
378 | 2OX | 0.8659 |
379 | NRG | 0.8656 |
380 | 50Q | 0.8655 |
381 | IAR | 0.8655 |
382 | HCC | 0.8654 |
383 | YF3 | 0.8654 |
384 | NIF | 0.8653 |
385 | 8EU | 0.8651 |
386 | LWA | 0.8648 |
387 | ZMG | 0.8642 |
388 | IQW | 0.8641 |
389 | C0V | 0.8637 |
390 | 250 | 0.8633 |
391 | U14 | 0.8633 |
392 | EGV | 0.8631 |
393 | 7HV | 0.8630 |
394 | A9E | 0.8630 |
395 | IDZ | 0.8629 |
396 | 1Q4 | 0.8628 |
397 | JX7 | 0.8627 |
398 | TCT | 0.8626 |
399 | BXS | 0.8623 |
400 | HHV | 0.8618 |
401 | NIY | 0.8618 |
402 | J2N | 0.8617 |
403 | MQS | 0.8614 |
404 | 0V8 | 0.8613 |
405 | HSA | 0.8612 |
406 | 4FF | 0.8609 |
407 | ZZU | 0.8607 |
408 | 9ME | 0.8606 |
409 | 2NP | 0.8602 |
410 | 4YE | 0.8591 |
411 | TH4 | 0.8590 |
412 | QTJ | 0.8588 |
413 | QTV | 0.8584 |
414 | H5E | 0.8582 |
415 | WLH | 0.8578 |
416 | KP2 | 0.8578 |
417 | PV4 | 0.8565 |
418 | NNH | 0.8564 |
419 | 1KN | 0.8564 |
420 | AEY | 0.8564 |
421 | 39R | 0.8560 |
422 | 2QU | 0.8558 |
423 | 2BI | 0.8557 |
424 | 5O6 | 0.8552 |
This union binding pocket(no: 1) in the query (biounit: 1f3d.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1f3d.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |