- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
-
|
- Download
- Structure Biounit | Ligand Information
- 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 = 0.00000145 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 = 10 uM | KDA KDO KDO | n/a | n/a |
72 | 3HZK | Kd = 30 uM | 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 = 0.00000145 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 = 0.00000145 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 | 2AJX | - | TGN | C16 H22 N O5 P | C[N@]1[C@H.... |
108 | 2AJZ | - | ECG | C10 H17 N O3 | C[N@]1[C@H.... |
109 | 2AK1 | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
110 | 2AJV | - | COC | C17 H21 N O4 | C[N@]1[C@H.... |
111 | 2AJY | - | ECG | C10 H17 N O3 | C[N@]1[C@H.... |
112 | 5VH4 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
113 | 1A4K | Kd = 0.01 uM | FRA | C21 H23 N3 O7 | CC(=O)Nc1c.... |
114 | 6DZN | - | AE3 | C6 H14 O3 | CCOCCOCCO |
115 | 3IJH | Kd = 100 uM | KO2 | C11 H18 O9 | C=CCO[C@@].... |
116 | 1YEE | - | PNB | C13 H17 N2 O8 P | c1cc(ccc1C.... |
117 | 1KN4 | - | PDE | C13 H17 N2 O8 P | C[C@@H](C(.... |
118 | 1YEG | - | BPN | C7 H7 N O3 | c1cc(ccc1C.... |
119 | 1YEK | - | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
120 | 1YEI | Kd = 35 nM | PGG | C12 H15 N2 O8 P | c1cc(ccc1[.... |
121 | 1YEC | - | PNB | C13 H17 N2 O8 P | c1cc(ccc1C.... |
122 | 1YEJ | Kd = 35 nM | PNF | C16 H23 N2 O8 P | c1cc(ccc1[.... |
123 | 1YEF | - | PNC | C14 H17 N3 O6 | c1cc(ccc1C.... |
124 | 1KN2 | - | PNE | C13 H17 N2 O8 P | CC(C(=O)O).... |
125 | 4OCX | Kd = 3.6 pM | MT1 | C20 H23 N8 O5 | CN(Cc1cnc2.... |
126 | 4S1D | - | 41M | C16 H29 N5 O3 S | C1[C@H]2[C.... |
127 | 1FLR | Kd = 0.1 nM | FLU | C20 H12 O5 | c1ccc(c(c1.... |
128 | 5JOP | - | NAG GAL BGC GAL | n/a | n/a |
129 | 3QCU | - | NKN | C17 H35 O7 P | CCCCCCCCCC.... |
130 | 4ONF | - | ASP ALA GLU PHE ARG HIS ASP | n/a | n/a |
131 | 1KEL | Kd = 52 nM | AAH | C13 H19 N2 O7 P | c1cc(ccc1C.... |
132 | 1JGU | - | HBC | C20 H21 N O | c1ccc(cc1).... |
133 | 2DDQ | - | HRB | C17 H27 N3 O5 | CCCCC[C@@H.... |
134 | 2DQU | Ki = 50 nM | CPD | C28 H36 Cl2 F3 N6 O8 P | CCNC(=O)N(.... |
135 | 2DQT | Ki = 50 nM | CPD | C28 H36 Cl2 F3 N6 O8 P | CCNC(=O)N(.... |
136 | 6MQC | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
137 | 1JGL | Kd = 2 nM | EST | C18 H24 O2 | C[C@]12CC[.... |
138 | 1A0Q | Ki = 27 nM | HEP | C15 H22 N O6 P | CCCC[C@H](.... |
139 | 2Z93 | Kd = 11.1 nM | END | C17 H24 O7 | C1C=CCO[C@.... |
140 | 2Z92 | Kd = 66.7 nM | ENE | C22 H30 O8 | C1C=CCO[C@.... |
141 | 2R0W | - | ASP ALA GLU PHE ARG HIS ASP SER | n/a | n/a |
142 | 5EOQ | - | LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU | n/a | n/a |
143 | 3EYS | Kd = 3000 nM | PCA PHE ARG HIS ASP SER | n/a | n/a |
144 | 2IPU | - | ASP ALA GLU PHE ARG HIS ASP SER | n/a | n/a |
145 | 2R0Z | Kd = 3400 nM | ALA LYS PHE ARG HIS ASP | n/a | n/a |
146 | 6EV2 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
147 | 4YHY | - | M3L | C9 H21 N2 O2 | C[N+](C)(C.... |
148 | 3TWC | - | MAN AML MAN MAN MAN MAN MAN MAN MAN | n/a | n/a |
149 | 6B3D | - | MAN MAN MAN MAN MAN MAN MAN | n/a | n/a |
150 | 2V17 | - | THR ASP HIS GLY ALA GLU | n/a | n/a |
151 | 1EAP | - | HEP | C15 H22 N O6 P | CCCC[C@H](.... |
152 | 6C5J | Kd = 68.5 nM | GP1 Z9M KDO KDO KDO | n/a | n/a |
153 | 4M7J | Kd = 0.781 uM | KDA KDO KDO | n/a | n/a |
154 | 6C5H | Kd = 370 nM | GP1 Z9M KDO KDO KDO | n/a | n/a |
155 | 5T78 | Kd = 43 nM | NGA ALA PRO ASP THR ARG PRO ALA PRO | n/a | n/a |
156 | 5T6P | Kd = 880 nM | ALA PRO ASP THR ARG PRO ALA PRO | n/a | n/a |
157 | 4TUO | - | GLC GAL SIA NGA SIA | n/a | n/a |
158 | 2HKF | - | LEU PRO GLY GLU GLU ASP LEU PRO GLY | n/a | n/a |
159 | 1MFB | - | RAM MAN GLA ABE RAM MAN GLA | n/a | n/a |
160 | 1MFD | Kd = 4.9 uM | MMA GLA ABE | n/a | n/a |
161 | 1MFC | - | RAM MAN GLA ABE | n/a | n/a |
162 | 1LO3 | - | AN1 | C18 H16 O2 | Cc1c2ccccc.... |
163 | 1LO0 | - | BC1 | C19 H17 N3 O3 | CN1c2ccccc.... |
164 | 1LO2 | - | OX1 | C18 H16 O4 | CC12c3cccc.... |
165 | 3BZ4 | - | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | n/a | n/a |
166 | 3C6S | - | RAM NAG RAM RAM RAM NAG RAM RAM RAM GLC GLC | n/a | n/a |
167 | 6DWI | - | HD4 | C13 H26 N O13 P | CC(=O)N[C@.... |
168 | 1M7D | Ka = 1700000 M^-1 | MAG RAE RAM | n/a | n/a |
169 | 1M7I | Ka = 250000 M^-1 | RAO NAG RAM RAM RAM | n/a | n/a |
170 | 1PZ5 | Kd = 4 uM | MET ASP TRP ASN MET HIS ALA ALA | n/a | n/a |
171 | 5TKK | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
172 | 1XF2 | - | DT DT DT | n/a | n/a |
173 | 6MQE | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
174 | 6DF1 | - | LEU PTR LEU | n/a | n/a |
175 | 6DZR | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
176 | 5ALB | - | TIQ | C23 H28 F2 N6 O4 S | CCCSc1nc(c.... |
177 | 5ALC | - | TIQ | C23 H28 F2 N6 O4 S | CCCSc1nc(c.... |
178 | 1NGP | - | NPA | C8 H7 N O5 | c1cc(c(cc1.... |
179 | 4ODV | - | GP1 Z9M | n/a | n/a |
180 | 1KEG | - | DT 64T DT DT | n/a | n/a |
181 | 1EHL | - | 5HT DT | n/a | n/a |
182 | 1C1E | - | ENH | C10 H5 Cl6 N O2 | CN1C(=O)[C.... |
183 | 1CLY | - | NAG NON FUC GAL FUC | n/a | n/a |
184 | 1CT8 | Kd = 0.3 uM | TAA | C20 H21 Cl2 F3 N3 O8 P | c1cc(ccc1C.... |
185 | 1CE1 | - | GLY THR SER SER PRO SER ALA ASP | n/a | n/a |
186 | 6DW2 | - | HD4 | C13 H26 N O13 P | CC(=O)N[C@.... |
187 | 1T66 | - | FLU | C20 H12 O5 | c1ccc(c(c1.... |
188 | 3GHB | - | LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA | n/a | n/a |
189 | 2W65 | - | ALA CIR GLY LEU THR GLY ARG HYP GLY | n/a | n/a |
190 | 5DYO | - | FLU | C20 H12 O5 | c1ccc(c(c1.... |
191 | 4UIN | Kd = 24 nM | QI9 | C20 H24 N2 O2 | COc1ccc2c(.... |
192 | 3V0W | Kd = 32 nM | KDO KDO GM0 GM0 GLC GMH GLC GLA GLC PA1 | n/a | n/a |
193 | 3IFL | - | ASP ALA GLU PHE ARG HIS ASP | n/a | n/a |
194 | 3IFO | - | ASP ALA GLU PHE ARG HIS ASP | n/a | n/a |
195 | 2CGR | Kd = 53 nM | GAS | C23 H20 N4 O2 | c1ccc(cc1).... |
196 | 1YNK | - | SC5 | C18 H26 N4 O2 | C[C@H](c1c.... |
197 | 1I7Z | Kd = 0.4 uM | COC | C17 H21 N O4 | C[N@]1[C@H.... |
198 | 2O5Z | Kd = 110 mM | ANO | C19 H28 O2 | C[C@]12CCC.... |
199 | 25C8 | - | GEP | C19 H29 N2 O3 | C[N+]1(CCC.... |
200 | 35C8 | - | NOX | C18 H26 N2 O4 | c1cc(ccc1C.... |
201 | 1FL3 | Kd = 0.16 uM | SPB | C19 H19 N O3 | c1ccc(cc1).... |
202 | 3CFB | - | SPB | C19 H19 N O3 | c1ccc(cc1).... |
203 | 1UB5 | - | SPB | C19 H19 N O3 | c1ccc(cc1).... |
204 | 1IND | Ka = 11000000000 M^-1 | EOT | C20 H28 N4 O9 S | c1cc(ccc1C.... |
205 | 1ZEA | Kd = 6 uM | DVA DPR GLY DSN DGN DHI DTY DAS DSN | n/a | n/a |
206 | 1MEX | - | RAC | C18 H18 N2 O5 | CN(C)C(=O).... |
207 | 1UM5 | - | SS1 | C8 H10 O | C[C@@H](c1.... |
208 | 1UM4 | - | SH4 | C17 H19 N O4 P | C[C@@H](c1.... |
209 | 1VPO | Kd = 0.00000145 M | TES | C19 H28 O2 | C[C@]12CC[.... |
210 | 1C5C | Kd = 110 nM | TK4 | C12 H11 N O7 S2 | CC(=O)Nc1c.... |
211 | 2PCP | Kd = 2 nM | 1PC | C17 H25 N | c1ccc(cc1).... |
212 | 1D6V | Kd = 670 nM | HOP | C23 H27 N O4 | c1ccc(cc1).... |
213 | 1Q0Y | Kd ~ 1 nM | MOI | C17 H19 N O3 | C[N@]1CC[C.... |
214 | 6CDO | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
215 | 6IDG | Kd = 0.00000145 M | 64T 5PY | n/a | n/a |
216 | 4YHK | ic50 = 4.6 nM | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
217 | 4YHM | ic50 = 4.6 nM | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
218 | 4YHO | ic50 = 2.6 nM | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
219 | 4YHI | ic50 = 4.6 nM | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
220 | 3O6M | Kd = 33 nM | PRO LYS LEU GLU PRO TRP LYS HIS PRO | n/a | n/a |
221 | 1IGJ | Kd = 0.1 nM | DGX | C41 H64 O14 | C[C@@H]1[C.... |
222 | 1UZ8 | Kd = 10.75 uM | MAG FUC GAL | n/a | n/a |
223 | 4ODT | - | GP1 Z9M | n/a | n/a |
224 | 1RUM | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
225 | 1ND0 | - | DP4 | C14 H23 N O Si | C[N+]1(CCC.... |
226 | 3LEY | - | LEU LEU GLU LEU ASP LYS TRP ALA NH2 | n/a | n/a |
227 | 1RUP | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
228 | 1RU9 | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
229 | 1RUL | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
230 | 3LEX | Kd = 6.44 nM | LEU LEU GLU LEU ASP LYS TRP ALA NH2 | n/a | n/a |
231 | 1RUK | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
232 | 1NCW | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
233 | 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 = 0.00000145 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 = 10 uM | KDA KDO KDO | n/a | n/a |
74 | 3HZK | Kd = 30 uM | 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 = 0.00000145 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 = 0.00000145 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 | 2AJX | - | TGN | C16 H22 N O5 P | C[N@]1[C@H.... |
111 | 2AJZ | - | ECG | C10 H17 N O3 | C[N@]1[C@H.... |
112 | 2AK1 | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
113 | 2AJV | - | COC | C17 H21 N O4 | C[N@]1[C@H.... |
114 | 2AJY | - | ECG | C10 H17 N O3 | C[N@]1[C@H.... |
115 | 5VH4 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
116 | 1A4K | Kd = 0.01 uM | FRA | C21 H23 N3 O7 | CC(=O)Nc1c.... |
117 | 6DZN | - | AE3 | C6 H14 O3 | CCOCCOCCO |
118 | 3IJH | Kd = 100 uM | KO2 | C11 H18 O9 | C=CCO[C@@].... |
119 | 1YEE | - | PNB | C13 H17 N2 O8 P | c1cc(ccc1C.... |
120 | 1KN4 | - | PDE | C13 H17 N2 O8 P | C[C@@H](C(.... |
121 | 1YEG | - | BPN | C7 H7 N O3 | c1cc(ccc1C.... |
122 | 1YEK | - | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
123 | 1YEI | Kd = 35 nM | PGG | C12 H15 N2 O8 P | c1cc(ccc1[.... |
124 | 1YEC | - | PNB | C13 H17 N2 O8 P | c1cc(ccc1C.... |
125 | 1YEJ | Kd = 35 nM | PNF | C16 H23 N2 O8 P | c1cc(ccc1[.... |
126 | 1YEF | - | PNC | C14 H17 N3 O6 | c1cc(ccc1C.... |
127 | 1KN2 | - | PNE | C13 H17 N2 O8 P | CC(C(=O)O).... |
128 | 4OCX | Kd = 3.6 pM | MT1 | C20 H23 N8 O5 | CN(Cc1cnc2.... |
129 | 4S1D | - | 41M | C16 H29 N5 O3 S | C1[C@H]2[C.... |
130 | 1FLR | Kd = 0.1 nM | FLU | C20 H12 O5 | c1ccc(c(c1.... |
131 | 5EOR | - | ASP VAL GLN THR GLY ARG ARG PRO TYR GLU | n/a | n/a |
132 | 5JOP | - | NAG GAL BGC GAL | n/a | n/a |
133 | 3QCU | - | NKN | C17 H35 O7 P | CCCCCCCCCC.... |
134 | 4ONF | - | ASP ALA GLU PHE ARG HIS ASP | n/a | n/a |
135 | 1KEL | Kd = 52 nM | AAH | C13 H19 N2 O7 P | c1cc(ccc1C.... |
136 | 1JGU | - | HBC | C20 H21 N O | c1ccc(cc1).... |
137 | 2DDQ | - | HRB | C17 H27 N3 O5 | CCCCC[C@@H.... |
138 | 2DQU | Ki = 50 nM | CPD | C28 H36 Cl2 F3 N6 O8 P | CCNC(=O)N(.... |
139 | 2DQT | Ki = 50 nM | CPD | C28 H36 Cl2 F3 N6 O8 P | CCNC(=O)N(.... |
140 | 6MQC | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
141 | 1JGL | Kd = 2 nM | EST | C18 H24 O2 | C[C@]12CC[.... |
142 | 1A0Q | Ki = 27 nM | HEP | C15 H22 N O6 P | CCCC[C@H](.... |
143 | 2Z93 | Kd = 11.1 nM | END | C17 H24 O7 | C1C=CCO[C@.... |
144 | 2Z92 | Kd = 66.7 nM | ENE | C22 H30 O8 | C1C=CCO[C@.... |
145 | 2R0W | - | ASP ALA GLU PHE ARG HIS ASP SER | n/a | n/a |
146 | 5EOQ | - | LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU | n/a | n/a |
147 | 3EYS | Kd = 3000 nM | PCA PHE ARG HIS ASP SER | n/a | n/a |
148 | 2IPU | - | ASP ALA GLU PHE ARG HIS ASP SER | n/a | n/a |
149 | 2R0Z | Kd = 3400 nM | ALA LYS PHE ARG HIS ASP | n/a | n/a |
150 | 6EV2 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
151 | 4YHY | - | M3L | C9 H21 N2 O2 | C[N+](C)(C.... |
152 | 3TV3 | - | MAN AML MAN MAN MAN MAN MAN MAN MAN | n/a | n/a |
153 | 3TWC | - | MAN AML MAN MAN MAN MAN MAN MAN MAN | n/a | n/a |
154 | 6B3D | - | MAN MAN MAN MAN MAN MAN MAN | n/a | n/a |
155 | 2V17 | - | THR ASP HIS GLY ALA GLU | n/a | n/a |
156 | 1EAP | - | HEP | C15 H22 N O6 P | CCCC[C@H](.... |
157 | 6C5J | Kd = 68.5 nM | GP1 Z9M KDO KDO KDO | n/a | n/a |
158 | 4M7J | Kd = 0.781 uM | KDA KDO KDO | n/a | n/a |
159 | 6C5H | Kd = 370 nM | GP1 Z9M KDO KDO KDO | n/a | n/a |
160 | 5T78 | Kd = 43 nM | NGA ALA PRO ASP THR ARG PRO ALA PRO | n/a | n/a |
161 | 5T6P | Kd = 880 nM | ALA PRO ASP THR ARG PRO ALA PRO | n/a | n/a |
162 | 4TUO | - | GLC GAL SIA NGA SIA | n/a | n/a |
163 | 1DL7 | Kd = 0.32 uM | NCH | C11 H18 N2 O6 P | C[N+](C)(C.... |
164 | 2HKF | - | LEU PRO GLY GLU GLU ASP LEU PRO GLY | n/a | n/a |
165 | 1MFE | - | MAN GLA ABE | n/a | n/a |
166 | 1MFB | - | RAM MAN GLA ABE RAM MAN GLA | n/a | n/a |
167 | 1MFD | Kd = 4.9 uM | MMA GLA ABE | n/a | n/a |
168 | 1MFC | - | RAM MAN GLA ABE | n/a | n/a |
169 | 1LO3 | - | AN1 | C18 H16 O2 | Cc1c2ccccc.... |
170 | 1LO0 | - | BC1 | C19 H17 N3 O3 | CN1c2ccccc.... |
171 | 1LO2 | - | OX1 | C18 H16 O4 | CC12c3cccc.... |
172 | 3BZ4 | - | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | n/a | n/a |
173 | 3C6S | - | RAM NAG RAM RAM RAM NAG RAM RAM RAM GLC GLC | n/a | n/a |
174 | 6DWI | - | HD4 | C13 H26 N O13 P | CC(=O)N[C@.... |
175 | 1M7D | Ka = 1700000 M^-1 | MAG RAE RAM | n/a | n/a |
176 | 1M7I | Ka = 250000 M^-1 | RAO NAG RAM RAM RAM | n/a | n/a |
177 | 1PZ5 | Kd = 4 uM | MET ASP TRP ASN MET HIS ALA ALA | n/a | n/a |
178 | 5TKK | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
179 | 2BJM | Ka < 100000 M^-1 | ANF | C14 H10 O | c1ccc2c(c1.... |
180 | 1A6V | - | NPC | C14 H17 N2 O6 | c1cc(c(cc1.... |
181 | 1OAU | Kd = 20 nM | DNF SER | n/a | n/a |
182 | 1A6W | - | NIP | C14 H16 I N2 O6 | c1c(cc(c(c.... |
183 | 1XF2 | - | DT DT DT | n/a | n/a |
184 | 2OMN | - | IPH | C6 H6 O | c1ccc(cc1).... |
185 | 2YKL | - | NLD | C17 H25 N3 O3 | CCNC(=O)CC.... |
186 | 2YK1 | Kd = 7.4 nM | NCT | C10 H14 N2 | C[N@@]1CCC.... |
187 | 6MQE | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
188 | 6DF1 | - | LEU PTR LEU | n/a | n/a |
189 | 6DZR | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
190 | 5ALB | - | TIQ | C23 H28 F2 N6 O4 S | CCCSc1nc(c.... |
191 | 5ALC | - | TIQ | C23 H28 F2 N6 O4 S | CCCSc1nc(c.... |
192 | 1NGP | - | NPA | C8 H7 N O5 | c1cc(c(cc1.... |
193 | 4ODV | - | GP1 Z9M | n/a | n/a |
194 | 1KEG | - | DT 64T DT DT | n/a | n/a |
195 | 1EHL | - | 5HT DT | n/a | n/a |
196 | 1C1E | - | ENH | C10 H5 Cl6 N O2 | CN1C(=O)[C.... |
197 | 1CLY | - | NAG NON FUC GAL FUC | n/a | n/a |
198 | 1CT8 | Kd = 0.3 uM | TAA | C20 H21 Cl2 F3 N3 O8 P | c1cc(ccc1C.... |
199 | 1CE1 | - | GLY THR SER SER PRO SER ALA ASP | n/a | n/a |
200 | 6DW2 | - | HD4 | C13 H26 N O13 P | CC(=O)N[C@.... |
201 | 1T66 | - | FLU | C20 H12 O5 | c1ccc(c(c1.... |
202 | 3GHB | - | LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA | n/a | n/a |
203 | 2W65 | - | ALA CIR GLY LEU THR GLY ARG HYP GLY | n/a | n/a |
204 | 5DYO | - | FLU | C20 H12 O5 | c1ccc(c(c1.... |
205 | 4UIN | Kd = 24 nM | QI9 | C20 H24 N2 O2 | COc1ccc2c(.... |
206 | 3V0W | Kd = 32 nM | KDO KDO GM0 GM0 GLC GMH GLC GLA GLC PA1 | n/a | n/a |
207 | 3IFL | - | ASP ALA GLU PHE ARG HIS ASP | n/a | n/a |
208 | 3IFO | - | ASP ALA GLU PHE ARG HIS ASP | n/a | n/a |
209 | 2CGR | Kd = 53 nM | GAS | C23 H20 N4 O2 | c1ccc(cc1).... |
210 | 1YNK | - | SC5 | C18 H26 N4 O2 | C[C@H](c1c.... |
211 | 1I7Z | Kd = 0.4 uM | COC | C17 H21 N O4 | C[N@]1[C@H.... |
212 | 2O5Z | Kd = 110 mM | ANO | C19 H28 O2 | C[C@]12CCC.... |
213 | 25C8 | - | GEP | C19 H29 N2 O3 | C[N+]1(CCC.... |
214 | 35C8 | - | NOX | C18 H26 N2 O4 | c1cc(ccc1C.... |
215 | 1FL3 | Kd = 0.16 uM | SPB | C19 H19 N O3 | c1ccc(cc1).... |
216 | 3CFB | - | SPB | C19 H19 N O3 | c1ccc(cc1).... |
217 | 1UB5 | - | SPB | C19 H19 N O3 | c1ccc(cc1).... |
218 | 1IND | Ka = 11000000000 M^-1 | EOT | C20 H28 N4 O9 S | c1cc(ccc1C.... |
219 | 1ZEA | Kd = 6 uM | DVA DPR GLY DSN DGN DHI DTY DAS DSN | n/a | n/a |
220 | 1MEX | - | RAC | C18 H18 N2 O5 | CN(C)C(=O).... |
221 | 1UM5 | - | SS1 | C8 H10 O | C[C@@H](c1.... |
222 | 1UM4 | - | SH4 | C17 H19 N O4 P | C[C@@H](c1.... |
223 | 1VPO | Kd = 0.00000145 M | TES | C19 H28 O2 | C[C@]12CC[.... |
224 | 1C5C | Kd = 110 nM | TK4 | C12 H11 N O7 S2 | CC(=O)Nc1c.... |
225 | 2PCP | Kd = 2 nM | 1PC | C17 H25 N | c1ccc(cc1).... |
226 | 1D6V | Kd = 670 nM | HOP | C23 H27 N O4 | c1ccc(cc1).... |
227 | 1Q0Y | Kd ~ 1 nM | MOI | C17 H19 N O3 | C[N@]1CC[C.... |
228 | 6CDO | - | ALA VAL GLY ILE GLY ALA VAL PHE | n/a | n/a |
229 | 6IDG | Kd = 0.00000145 M | 64T 5PY | n/a | n/a |
230 | 4YHK | ic50 = 4.6 nM | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
231 | 4YHM | ic50 = 4.6 nM | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
232 | 4YHO | ic50 = 2.6 nM | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
233 | 4YHI | ic50 = 4.6 nM | 4CC | C25 H25 N7 O3 | [H]/N=C(c1.... |
234 | 3O6M | Kd = 33 nM | PRO LYS LEU GLU PRO TRP LYS HIS PRO | n/a | n/a |
235 | 1IGJ | Kd = 0.1 nM | DGX | C41 H64 O14 | C[C@@H]1[C.... |
236 | 1UZ8 | Kd = 10.75 uM | MAG FUC GAL | n/a | n/a |
237 | 4ODT | - | GP1 Z9M | n/a | n/a |
238 | 1RUM | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
239 | 1ND0 | - | DP4 | C14 H23 N O Si | C[N+]1(CCC.... |
240 | 3LEY | - | LEU LEU GLU LEU ASP LYS TRP ALA NH2 | n/a | n/a |
241 | 1RUP | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
242 | 1RU9 | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
243 | 1RUL | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
244 | 3LEX | Kd = 6.44 nM | LEU LEU GLU LEU ASP LYS TRP ALA NH2 | n/a | n/a |
245 | 1RUK | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
246 | 1NCW | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
247 | 1RUA | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
248 | 6BE4 | - | NAG NAG NAG NAG NAG | n/a | n/a |
249 | 6BE3 | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ALL | 1 | 1 |
2 | WOO | 1 | 1 |
3 | BMA | 1 | 1 |
4 | GAL | 1 | 1 |
5 | MAN | 1 | 1 |
6 | BGC | 1 | 1 |
7 | GIV | 1 | 1 |
8 | GXL | 1 | 1 |
9 | GLC | 1 | 1 |
10 | GLA | 1 | 1 |
11 | RIB | 0.653846 | 0.866667 |
12 | 32O | 0.653846 | 0.866667 |
13 | BDR | 0.653846 | 0.866667 |
14 | AHR | 0.653846 | 0.866667 |
15 | Z6J | 0.653846 | 0.866667 |
16 | FUB | 0.653846 | 0.866667 |
17 | GLA BMA | 0.511628 | 0.848485 |
18 | GLA BGC | 0.511628 | 0.848485 |
19 | MAN MAN | 0.511628 | 0.848485 |
20 | GAL GLC | 0.511628 | 0.848485 |
21 | GLA GLC | 0.511628 | 0.848485 |
22 | BGC GLA | 0.511628 | 0.848485 |
23 | MLB | 0.511628 | 0.848485 |
24 | BMA GLA | 0.511628 | 0.848485 |
25 | LAK | 0.511628 | 0.848485 |
26 | GAL GAL | 0.511628 | 0.848485 |
27 | MAN BMA | 0.511628 | 0.848485 |
28 | YDR | 0.5 | 0.8 |
29 | GLC GLC GLC GLC BGC | 0.488889 | 0.848485 |
30 | GLC GLC GLC GLC GLC BGC | 0.488889 | 0.848485 |
31 | BMA MAN MAN | 0.488889 | 0.848485 |
32 | EMZ | 0.472222 | 0.794118 |
33 | G6P | 0.461538 | 0.675 |
34 | BGP | 0.461538 | 0.675 |
35 | M6P | 0.461538 | 0.675 |
36 | A6P | 0.461538 | 0.675 |
37 | BG6 | 0.461538 | 0.675 |
38 | M6D | 0.461538 | 0.675 |
39 | G2F | 0.457143 | 0.875 |
40 | 1GN | 0.457143 | 0.777778 |
41 | 95Z | 0.457143 | 0.777778 |
42 | SHG | 0.457143 | 0.875 |
43 | 2FG | 0.457143 | 0.875 |
44 | X6X | 0.457143 | 0.777778 |
45 | GCS | 0.457143 | 0.777778 |
46 | PA1 | 0.457143 | 0.777778 |
47 | 2H5 | 0.457143 | 0.875 |
48 | G3F | 0.457143 | 0.875 |
49 | GAF | 0.457143 | 0.875 |
50 | GLA GAL | 0.454545 | 0.848485 |
51 | LB2 | 0.454545 | 0.848485 |
52 | CBK | 0.454545 | 0.848485 |
53 | MAL | 0.454545 | 0.848485 |
54 | GLC GLC | 0.454545 | 0.848485 |
55 | MAB | 0.454545 | 0.848485 |
56 | LBT | 0.454545 | 0.848485 |
57 | GLA GLA | 0.454545 | 0.848485 |
58 | BGC GAL | 0.454545 | 0.848485 |
59 | N9S | 0.454545 | 0.848485 |
60 | GLC GAL | 0.454545 | 0.848485 |
61 | GAL BGC | 0.454545 | 0.848485 |
62 | M3M | 0.454545 | 0.848485 |
63 | B2G | 0.454545 | 0.848485 |
64 | GLC BGC | 0.454545 | 0.848485 |
65 | CBI | 0.454545 | 0.848485 |
66 | BGC BMA | 0.454545 | 0.848485 |
67 | LAT | 0.454545 | 0.848485 |
68 | BMA BMA | 0.454545 | 0.848485 |
69 | BMA GAL | 0.454545 | 0.848485 |
70 | MAN GLC | 0.454545 | 0.848485 |
71 | NGR | 0.454545 | 0.848485 |
72 | GLC SGC | 0.444444 | 0.8 |
73 | TCB | 0.444444 | 0.8 |
74 | 3MG | 0.444444 | 0.875 |
75 | YIO | 0.441176 | 0.870968 |
76 | 2GS | 0.432432 | 0.875 |
77 | 2M4 | 0.431818 | 0.848485 |
78 | BMA MAN | 0.431818 | 0.848485 |
79 | BGC GLC | 0.431818 | 0.848485 |
80 | AHR AHR | 0.428571 | 0.764706 |
81 | GLF | 0.428571 | 0.84375 |
82 | FUB AHR | 0.428571 | 0.764706 |
83 | CE8 | 0.416667 | 0.848485 |
84 | CE6 | 0.416667 | 0.848485 |
85 | BGC GLC GLC GLC | 0.416667 | 0.848485 |
86 | GLA GAL BGC | 0.416667 | 0.848485 |
87 | BGC BGC BGC GLC | 0.416667 | 0.848485 |
88 | MLR | 0.416667 | 0.848485 |
89 | BGC BGC GLC | 0.416667 | 0.848485 |
90 | MTT | 0.416667 | 0.848485 |
91 | GLC GLC GLC GLC GLC | 0.416667 | 0.848485 |
92 | B4G | 0.416667 | 0.848485 |
93 | GAL FUC | 0.416667 | 0.848485 |
94 | MAN MAN BMA BMA BMA BMA | 0.416667 | 0.848485 |
95 | BMA BMA BMA | 0.416667 | 0.848485 |
96 | CTR | 0.416667 | 0.848485 |
97 | GLA GAL GLC | 0.416667 | 0.848485 |
98 | MAN BMA BMA BMA BMA BMA | 0.416667 | 0.848485 |
99 | BMA MAN BMA | 0.416667 | 0.848485 |
100 | GAL GAL GAL | 0.416667 | 0.848485 |
101 | GLC BGC GLC | 0.416667 | 0.848485 |
102 | MAN BMA BMA | 0.416667 | 0.848485 |
103 | GLC BGC BGC BGC BGC BGC | 0.416667 | 0.848485 |
104 | BGC GLC GLC GLC GLC | 0.416667 | 0.848485 |
105 | MAN BMA BMA BMA BMA | 0.416667 | 0.848485 |
106 | CE5 | 0.416667 | 0.848485 |
107 | BGC GLC GLC | 0.416667 | 0.848485 |
108 | CTT | 0.416667 | 0.848485 |
109 | BMA BMA BMA BMA BMA BMA | 0.416667 | 0.848485 |
110 | CEY | 0.416667 | 0.848485 |
111 | GLC GAL GAL | 0.416667 | 0.848485 |
112 | DXI | 0.416667 | 0.848485 |
113 | CT3 | 0.416667 | 0.848485 |
114 | GLC BGC BGC | 0.416667 | 0.848485 |
115 | BGC GLC GLC GLC GLC GLC GLC | 0.416667 | 0.848485 |
116 | GLC BGC BGC BGC BGC | 0.416667 | 0.848485 |
117 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.416667 | 0.848485 |
118 | BMA BMA BMA BMA BMA | 0.416667 | 0.848485 |
119 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.416667 | 0.848485 |
120 | MT7 | 0.416667 | 0.848485 |
121 | CEX | 0.416667 | 0.848485 |
122 | BGC BGC BGC BGC | 0.416667 | 0.848485 |
123 | GLC BGC BGC BGC | 0.416667 | 0.848485 |
124 | BGC BGC BGC | 0.416667 | 0.848485 |
125 | BGC BGC BGC GLC BGC BGC | 0.408163 | 0.848485 |
126 | GLC BGC BGC BGC BGC BGC BGC | 0.408163 | 0.848485 |
127 | GLC GLC GLC GLC | 0.408163 | 0.848485 |
128 | GS1 GLC GS1 | 0.408163 | 0.8 |
129 | GLC GLC BGC | 0.408163 | 0.848485 |
130 | GLC GLC GLC | 0.408163 | 0.848485 |
131 | SGC SGC BGC | 0.408163 | 0.8 |
132 | BGC BGC BGC BGC BGC BGC | 0.408163 | 0.848485 |
133 | TRE | 0.405405 | 0.848485 |
134 | 1LL | 0.405405 | 0.771429 |
135 | TDG | 0.405405 | 0.771429 |
136 | BM3 | 0.404762 | 0.7 |
137 | NDG | 0.404762 | 0.7 |
138 | HSQ | 0.404762 | 0.7 |
139 | A2G | 0.404762 | 0.7 |
140 | NGA | 0.404762 | 0.7 |
141 | NAG | 0.404762 | 0.7 |
142 | AHR AHR AHR AHR AHR AHR | 0.4 | 0.764706 |
143 | FUB AHR AHR | 0.4 | 0.764706 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MLB | 1 | 1 |
2 | MAN MAN | 1 | 1 |
3 | GAL GLC | 1 | 1 |
4 | MAN BMA | 1 | 1 |
5 | GAL GAL | 1 | 1 |
6 | GLA BMA | 1 | 1 |
7 | BMA GLA | 1 | 1 |
8 | GLA BGC | 1 | 1 |
9 | GLA GLC | 1 | 1 |
10 | BGC GLA | 1 | 1 |
11 | LAK | 1 | 1 |
12 | GLC GLC GLC GLC BGC | 0.953488 | 1 |
13 | GLC GLC GLC GLC GLC BGC | 0.953488 | 1 |
14 | BMA MAN MAN | 0.953488 | 1 |
15 | AHR AHR | 0.75 | 0.857143 |
16 | FUB AHR | 0.75 | 0.857143 |
17 | MAN MAN BMA MAN | 0.732143 | 1 |
18 | MAN MAN MAN MAN | 0.732143 | 1 |
19 | AHR AHR AHR AHR AHR AHR | 0.702128 | 0.857143 |
20 | FUB AHR AHR | 0.702128 | 0.857143 |
21 | MAN MAN MAN | 0.672727 | 1 |
22 | MAN BMA MAN | 0.672727 | 1 |
23 | GLC GLC GLC BGC | 0.633333 | 1 |
24 | M5S | 0.606557 | 1 |
25 | MAN BMA MAN MAN MAN | 0.606557 | 1 |
26 | BMA BMA MAN GLA GLA | 0.583333 | 1 |
27 | MAN MAN MAN BMA MAN | 0.575758 | 1 |
28 | BMA BMA GLA BMA BMA | 0.546875 | 1 |
29 | BMA BMA BMA GLA BMA | 0.546875 | 1 |
30 | GLC Z9N | 0.54386 | 0.842105 |
31 | MAN MMA MAN | 0.540984 | 0.942857 |
32 | MAN MAN MAN MAN MAN MAN MAN | 0.535211 | 1 |
33 | GLA GLC FRU | 0.515625 | 0.891892 |
34 | RAF | 0.515625 | 0.891892 |
35 | GIV | 0.511628 | 0.848485 |
36 | ALL | 0.511628 | 0.848485 |
37 | WOO | 0.511628 | 0.848485 |
38 | GLC | 0.511628 | 0.848485 |
39 | GXL | 0.511628 | 0.848485 |
40 | BMA | 0.511628 | 0.848485 |
41 | GLA | 0.511628 | 0.848485 |
42 | GAL | 0.511628 | 0.848485 |
43 | MAN | 0.511628 | 0.848485 |
44 | BGC | 0.511628 | 0.848485 |
45 | SUC GLA GLA | 0.507692 | 0.891892 |
46 | SUC GLA GLA GLA | 0.507692 | 0.891892 |
47 | STW | 0.507692 | 0.891892 |
48 | MAN MAN MAN BMA MAN MAN MAN | 0.5 | 0.942857 |
49 | NGB | 0.485294 | 0.622642 |
50 | BMA MAN MAN MAN MAN | 0.485294 | 1 |
51 | 4CQ | 0.483871 | 0.970588 |
52 | WZ2 | 0.477612 | 0.868421 |
53 | BGC GAL | 0.472727 | 1 |
54 | GAL BGC | 0.472727 | 1 |
55 | MAL | 0.472727 | 1 |
56 | CBI | 0.472727 | 1 |
57 | B2G | 0.472727 | 1 |
58 | MAB | 0.472727 | 1 |
59 | BGC BMA | 0.472727 | 1 |
60 | LBT | 0.472727 | 1 |
61 | CBK | 0.472727 | 1 |
62 | N9S | 0.472727 | 1 |
63 | GLC GAL | 0.472727 | 1 |
64 | LAT | 0.472727 | 1 |
65 | BMA BMA | 0.472727 | 1 |
66 | BMA GAL | 0.472727 | 1 |
67 | NAG MAN MAN | 0.472222 | 0.733333 |
68 | RGG | 0.471698 | 0.882353 |
69 | SUC GLA | 0.471429 | 0.891892 |
70 | DMJ MAN | 0.466667 | 0.695652 |
71 | NOJ BGC | 0.466667 | 0.695652 |
72 | WZ3 | 0.463768 | 0.916667 |
73 | DEG | 0.462963 | 0.769231 |
74 | IFM MAN | 0.459016 | 0.711111 |
75 | EMZ | 0.458333 | 0.783784 |
76 | G6P | 0.45098 | 0.674419 |
77 | BGP | 0.45098 | 0.674419 |
78 | M6P | 0.45098 | 0.674419 |
79 | BG6 | 0.45098 | 0.674419 |
80 | A6P | 0.45098 | 0.674419 |
81 | M6D | 0.45098 | 0.674419 |
82 | AHR AHR AHR | 0.45 | 0.805556 |
83 | GLC BGC | 0.446429 | 1 |
84 | M3M | 0.446429 | 1 |
85 | MAN GLC | 0.446429 | 1 |
86 | GLA GAL | 0.446429 | 1 |
87 | LB2 | 0.446429 | 1 |
88 | EBQ | 0.446429 | 0.789474 |
89 | GLA GLA | 0.446429 | 1 |
90 | EBG | 0.446429 | 0.837838 |
91 | GLC GLC | 0.446429 | 1 |
92 | NGR | 0.446429 | 1 |
93 | GAL GAL GAL | 0.440678 | 1 |
94 | CTT | 0.440678 | 1 |
95 | MAN BMA BMA BMA BMA | 0.440678 | 1 |
96 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.440678 | 1 |
97 | CTR | 0.440678 | 1 |
98 | GLC BGC BGC BGC BGC BGC | 0.440678 | 1 |
99 | MAN BMA BMA | 0.440678 | 1 |
100 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.440678 | 1 |
101 | CE6 | 0.440678 | 1 |
102 | BGC BGC BGC GLC | 0.440678 | 1 |
103 | GLA GAL BGC | 0.440678 | 1 |
104 | BGC GLC GLC | 0.440678 | 1 |
105 | GLC BGC BGC BGC | 0.440678 | 1 |
106 | MT7 | 0.440678 | 1 |
107 | BGC GLC GLC GLC GLC | 0.440678 | 1 |
108 | GLC GAL GAL | 0.440678 | 1 |
109 | DXI | 0.440678 | 1 |
110 | CEX | 0.440678 | 1 |
111 | B4G | 0.440678 | 1 |
112 | GLC BGC BGC BGC BGC | 0.440678 | 1 |
113 | CEY | 0.440678 | 1 |
114 | GLC BGC BGC | 0.440678 | 1 |
115 | MAN BMA BMA BMA BMA BMA | 0.440678 | 1 |
116 | GLC GLC GLC GLC GLC | 0.440678 | 1 |
117 | CT3 | 0.440678 | 1 |
118 | BGC BGC GLC | 0.440678 | 1 |
119 | BGC GLC GLC GLC GLC GLC GLC | 0.440678 | 1 |
120 | MTT | 0.440678 | 1 |
121 | GLC BGC GLC | 0.440678 | 1 |
122 | MAN MAN BMA BMA BMA BMA | 0.440678 | 1 |
123 | BGC BGC BGC | 0.440678 | 1 |
124 | CE8 | 0.440678 | 1 |
125 | GLA GAL GLC | 0.440678 | 1 |
126 | BMA BMA BMA BMA BMA BMA | 0.440678 | 1 |
127 | MLR | 0.440678 | 1 |
128 | BMA MAN BMA | 0.440678 | 1 |
129 | BGC GLC GLC GLC | 0.440678 | 1 |
130 | CE5 | 0.440678 | 1 |
131 | BGC BGC BGC BGC | 0.440678 | 1 |
132 | BMA BMA BMA | 0.440678 | 1 |
133 | BMA BMA BMA BMA BMA | 0.440678 | 1 |
134 | 1GN ACY GAL ACY 1GN BGC GAL BGC | 0.439024 | 0.6875 |
135 | ACY 1GN GAL 1GN BGC ACY GAL BGC | 0.439024 | 0.6875 |
136 | GLC HEX | 0.438596 | 0.714286 |
137 | JZR | 0.438596 | 0.714286 |
138 | BHG | 0.438596 | 0.714286 |
139 | TRE | 0.4375 | 1 |
140 | BMA Z4Y NAG | 0.435897 | 0.717391 |
141 | B7G | 0.431034 | 0.738095 |
142 | KGM | 0.431034 | 0.738095 |
143 | BGC GLC | 0.428571 | 1 |
144 | BMA MAN | 0.428571 | 1 |
145 | MBG | 0.428571 | 0.857143 |
146 | MMA | 0.428571 | 0.857143 |
147 | GYP | 0.428571 | 0.857143 |
148 | 2M4 | 0.428571 | 1 |
149 | AMG | 0.428571 | 0.857143 |
150 | NAG BMA MAN MAN MAN MAN MAN | 0.425287 | 0.733333 |
151 | GAL GAL SO4 | 0.424242 | 0.66 |
152 | HSJ | 0.423729 | 0.738095 |
153 | BOG | 0.423729 | 0.738095 |
154 | BNG | 0.423729 | 0.738095 |
155 | GL1 | 0.423077 | 0.697674 |
156 | G1P | 0.423077 | 0.697674 |
157 | XGP | 0.423077 | 0.697674 |
158 | M1P | 0.423077 | 0.697674 |
159 | BGC BGC XYS BGC | 0.418919 | 0.942857 |
160 | GAL FUC | 0.416667 | 0.941176 |
161 | SER MAN | 0.416667 | 0.72093 |
162 | XYT | 0.415385 | 0.767442 |
163 | BQZ | 0.415094 | 0.909091 |
164 | 6SA | 0.414894 | 0.733333 |
165 | GAL BGC NAG GAL | 0.413333 | 0.733333 |
166 | GAL BGC BGC XYS | 0.410959 | 0.942857 |
167 | BGC BGC BGC GLC BGC BGC | 0.409836 | 1 |
168 | BGC BGC BGC BGC BGC BGC | 0.409836 | 1 |
169 | GLC GLC GLC GLC | 0.409836 | 1 |
170 | GLC BGC BGC BGC BGC BGC BGC | 0.409836 | 1 |
171 | GLA EGA | 0.409836 | 0.942857 |
172 | GLC GLC GLC | 0.409836 | 1 |
173 | GLC GLC BGC | 0.409836 | 1 |
174 | DGD | 0.409639 | 0.733333 |
175 | BMA NAG MAN MAN MAN MAN MAN MAN MAN | 0.409091 | 0.733333 |
176 | BGC BGC XYS XYS GAL | 0.407407 | 0.942857 |
177 | NAG NAG BMA MAN MAN | 0.406977 | 0.6875 |
178 | T6P | 0.40678 | 0.767442 |
179 | GLA GAL GAL | 0.40625 | 1 |
180 | NAG BMA MAN MAN MAN MAN MAN MAN | 0.404494 | 0.733333 |
181 | IAB | 0.404494 | 0.733333 |
182 | MAN MAN BMA | 0.403226 | 1 |
183 | BMA BMA MAN | 0.403226 | 1 |
184 | BGC BGC XYS BGC XYS BGC XYS | 0.402597 | 0.942857 |
185 | BGC BGC BGC XYS BGC XYS XYS | 0.402597 | 0.942857 |
186 | XYS BGC BGC XYS BGC XYS BGC | 0.402597 | 0.942857 |
187 | XYS BGC BGC XYS BGC BGC XYS | 0.402597 | 0.942857 |
188 | GLC BGC BGC XYS BGC XYS XYS | 0.402597 | 0.942857 |
189 | BMA MAN MAN MAN | 0.4 | 1 |
This union binding pocket(no: 1) in the query (biounit: 6n35.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6n35.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |