- 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 = 0.000000064 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 | NAD IBO | 0.885714 | 0.985915 |
2 | NAD TDB | 0.885714 | 0.985915 |
3 | A3D | 0.872727 | 0.986111 |
4 | NHD | 0.821429 | 0.972222 |
5 | NAP | 0.811966 | 0.986111 |
6 | NFD | 0.791304 | 0.946667 |
7 | DND | 0.765766 | 0.972603 |
8 | AMP NAD | 0.74359 | 0.972222 |
9 | ZID | 0.737705 | 0.986111 |
10 | NAQ | 0.729508 | 0.934211 |
11 | NAE | 0.721311 | 0.959459 |
12 | NA0 | 0.712 | 0.972603 |
13 | TAP | 0.704 | 0.921053 |
14 | NDE | 0.689922 | 0.972603 |
15 | NAJ | 0.683333 | 0.972222 |
16 | NDC | 0.679389 | 0.934211 |
17 | NDO | 0.674603 | 0.958904 |
18 | N01 | 0.656 | 0.972222 |
19 | CNA | 0.642276 | 0.972603 |
20 | NBP | 0.621212 | 0.922078 |
21 | NAD BBN | 0.609929 | 0.876543 |
22 | 8ID | 0.609756 | 0.922078 |
23 | NAD CJ3 | 0.601399 | 0.845238 |
24 | ADP MG | 0.584906 | 0.957747 |
25 | ADP BEF | 0.584906 | 0.957747 |
26 | A2D | 0.576923 | 0.958333 |
27 | ADP | 0.575472 | 0.931507 |
28 | NGD | 0.574803 | 0.922078 |
29 | BA3 | 0.566038 | 0.958333 |
30 | NAD NDT | 0.565789 | 0.755319 |
31 | M33 | 0.564815 | 0.918919 |
32 | ADP PO3 | 0.563636 | 0.957747 |
33 | ATP MG | 0.563636 | 0.957747 |
34 | AP5 | 0.560748 | 0.958333 |
35 | B4P | 0.560748 | 0.958333 |
36 | BEF ADP | 0.558559 | 0.931507 |
37 | VO4 ADP | 0.557522 | 0.932432 |
38 | AT4 | 0.555556 | 0.894737 |
39 | AN2 | 0.555556 | 0.918919 |
40 | GAP | 0.553571 | 0.932432 |
41 | OOB | 0.551724 | 0.972222 |
42 | CA0 | 0.550459 | 0.932432 |
43 | 9JJ | 0.546053 | 0.898734 |
44 | ATP | 0.545455 | 0.931507 |
45 | HEJ | 0.545455 | 0.931507 |
46 | ACP | 0.545455 | 0.906667 |
47 | KG4 | 0.545455 | 0.932432 |
48 | DQV | 0.544 | 0.972222 |
49 | ALF ADP | 0.54386 | 0.883117 |
50 | ANP MG | 0.54386 | 0.945205 |
51 | DAL AMP | 0.543103 | 0.945205 |
52 | 8LQ | 0.543103 | 0.92 |
53 | AQP | 0.540541 | 0.931507 |
54 | APR | 0.540541 | 0.931507 |
55 | AR6 | 0.540541 | 0.931507 |
56 | 5FA | 0.540541 | 0.931507 |
57 | AGS | 0.535714 | 0.883117 |
58 | AD9 | 0.535714 | 0.906667 |
59 | WAQ | 0.533333 | 0.896104 |
60 | ABM | 0.53271 | 0.905405 |
61 | 45A | 0.53271 | 0.905405 |
62 | QA7 | 0.529915 | 0.907895 |
63 | DLL | 0.529412 | 0.972222 |
64 | 00A | 0.529412 | 0.921053 |
65 | AMP MG | 0.528302 | 0.943662 |
66 | ANP | 0.526316 | 0.906667 |
67 | NJP | 0.526316 | 0.959459 |
68 | ACQ | 0.526316 | 0.906667 |
69 | OAD | 0.525 | 0.932432 |
70 | ADX | 0.522523 | 0.839506 |
71 | 8LE | 0.521739 | 0.907895 |
72 | 5AL | 0.521739 | 0.945205 |
73 | A1R | 0.521008 | 0.871795 |
74 | 9SN | 0.520325 | 0.909091 |
75 | A | 0.518868 | 0.930556 |
76 | AMP | 0.518868 | 0.930556 |
77 | 50T | 0.517857 | 0.893333 |
78 | ATF | 0.517241 | 0.894737 |
79 | 3OD | 0.516393 | 0.932432 |
80 | 1ZZ | 0.516393 | 0.851852 |
81 | SON | 0.513514 | 0.92 |
82 | PRX | 0.513274 | 0.881579 |
83 | SRP | 0.512821 | 0.92 |
84 | 8LH | 0.512821 | 0.92 |
85 | 6YZ | 0.512821 | 0.906667 |
86 | 3UK | 0.512397 | 0.958904 |
87 | 9X8 | 0.512397 | 0.883117 |
88 | ADP BMA | 0.512397 | 0.932432 |
89 | MYR AMP | 0.512195 | 0.851852 |
90 | NAJ PZO | 0.510949 | 0.909091 |
91 | NMN | 0.509434 | 0.875 |
92 | HQG | 0.508475 | 0.918919 |
93 | A3R | 0.508333 | 0.871795 |
94 | B5V | 0.508197 | 0.945946 |
95 | AMP DBH | 0.507937 | 0.906667 |
96 | A22 | 0.504202 | 0.945205 |
97 | JNT | 0.504132 | 0.906667 |
98 | FA5 | 0.504 | 0.945946 |
99 | ATP A | 0.504 | 0.971831 |
100 | ATP A A A | 0.504 | 0.971831 |
101 | B5M | 0.504 | 0.933333 |
102 | 8QN | 0.5 | 0.945205 |
103 | NAX | 0.496183 | 0.886076 |
104 | PR8 | 0.495935 | 0.8625 |
105 | ADQ | 0.495868 | 0.932432 |
106 | AMO | 0.495868 | 0.92 |
107 | 4AD | 0.495868 | 0.933333 |
108 | PAJ | 0.495868 | 0.873418 |
109 | V2G | 0.495726 | 0.884615 |
110 | APC MG | 0.495652 | 0.931507 |
111 | A12 | 0.495495 | 0.894737 |
112 | AP2 | 0.495495 | 0.894737 |
113 | ALF ADP 3PG | 0.492424 | 0.873418 |
114 | AHZ | 0.492308 | 0.851852 |
115 | FYA | 0.491935 | 0.918919 |
116 | AHX | 0.491803 | 0.884615 |
117 | 4UU | 0.488372 | 0.933333 |
118 | 5SV | 0.487603 | 0.8375 |
119 | T99 | 0.487179 | 0.894737 |
120 | TAT | 0.487179 | 0.894737 |
121 | APC | 0.486957 | 0.894737 |
122 | SRA | 0.486239 | 0.881579 |
123 | 6V0 | 0.484848 | 0.909091 |
124 | NAI | 0.484848 | 0.921053 |
125 | GTA | 0.484615 | 0.898734 |
126 | LAD | 0.483871 | 0.873418 |
127 | AU1 | 0.482456 | 0.906667 |
128 | F2R | 0.481752 | 0.831325 |
129 | TXE | 0.481203 | 0.921053 |
130 | OMR | 0.481203 | 0.841463 |
131 | AF3 ADP 3PG | 0.481203 | 0.873418 |
132 | LAQ | 0.480916 | 0.851852 |
133 | G3A | 0.48062 | 0.909091 |
134 | B5Y | 0.480315 | 0.933333 |
135 | NB8 | 0.48 | 0.884615 |
136 | TXA | 0.48 | 0.92 |
137 | BIS | 0.48 | 0.871795 |
138 | PTJ | 0.48 | 0.884615 |
139 | ME8 | 0.48 | 0.851852 |
140 | 139 | 0.477941 | 0.886076 |
141 | LPA AMP | 0.477273 | 0.851852 |
142 | G5P | 0.476923 | 0.909091 |
143 | AFH | 0.476923 | 0.873418 |
144 | AR6 AR6 | 0.476923 | 0.958333 |
145 | ARG AMP | 0.476923 | 0.841463 |
146 | 25L | 0.47619 | 0.945205 |
147 | NAJ PYZ | 0.475524 | 0.864198 |
148 | 9ZA | 0.47541 | 0.896104 |
149 | 9ZD | 0.47541 | 0.896104 |
150 | OZV | 0.47541 | 0.931507 |
151 | 25A | 0.47541 | 0.958333 |
152 | DZD | 0.47482 | 0.897436 |
153 | TXD | 0.473684 | 0.921053 |
154 | 4UV | 0.472868 | 0.933333 |
155 | TYM | 0.470149 | 0.945946 |
156 | ADV | 0.470085 | 0.894737 |
157 | RBY | 0.470085 | 0.894737 |
158 | A7R | 0.469231 | 0.857143 |
159 | KMQ | 0.46875 | 0.894737 |
160 | 4TA | 0.467626 | 0.864198 |
161 | 48N | 0.466165 | 0.884615 |
162 | XAH | 0.465116 | 0.851852 |
163 | 4UW | 0.462687 | 0.897436 |
164 | M24 | 0.461538 | 0.886076 |
165 | 80F | 0.460993 | 0.853659 |
166 | IOT | 0.459854 | 0.821429 |
167 | T5A | 0.456522 | 0.853659 |
168 | L3W | 0.455882 | 0.92 |
169 | EAD | 0.455782 | 0.886076 |
170 | MAP | 0.455285 | 0.883117 |
171 | GA7 | 0.454545 | 0.894737 |
172 | BT5 | 0.453901 | 0.821429 |
173 | A4P | 0.452555 | 0.833333 |
174 | UP5 | 0.451852 | 0.933333 |
175 | PAP | 0.445378 | 0.917808 |
176 | AP0 | 0.445255 | 0.884615 |
177 | 4TC | 0.445255 | 0.909091 |
178 | YLP | 0.444444 | 0.831325 |
179 | P1H | 0.443709 | 0.864198 |
180 | AOC | 0.442478 | 0.810811 |
181 | Z5A | 0.439189 | 0.833333 |
182 | LMS | 0.4375 | 0.817073 |
183 | 2A5 | 0.436975 | 0.857143 |
184 | COD | 0.43662 | 0.802326 |
185 | ADJ | 0.435714 | 0.841463 |
186 | YLC | 0.434783 | 0.851852 |
187 | YLB | 0.434783 | 0.831325 |
188 | ATR | 0.433333 | 0.90411 |
189 | 7MD | 0.432836 | 0.851852 |
190 | 8X1 | 0.432 | 0.764045 |
191 | G5A | 0.429752 | 0.790698 |
192 | PO4 PO4 A A A A PO4 | 0.429688 | 0.943662 |
193 | TAD | 0.42963 | 0.873418 |
194 | D4F | 0.428571 | 0.875 |
195 | 5AS | 0.42735 | 0.770115 |
196 | BTX | 0.426573 | 0.831325 |
197 | YLA | 0.425532 | 0.831325 |
198 | DSZ | 0.425197 | 0.790698 |
199 | NCN | 0.424779 | 0.805556 |
200 | UPA | 0.42446 | 0.921053 |
201 | 8PZ | 0.424242 | 0.811765 |
202 | VMS | 0.424 | 0.8 |
203 | 54H | 0.424 | 0.8 |
204 | 9K8 | 0.423077 | 0.744444 |
205 | N0B | 0.422819 | 0.853659 |
206 | 6AD | 0.422764 | 0.85 |
207 | AYB | 0.422535 | 0.821429 |
208 | 7D3 | 0.422414 | 0.844156 |
209 | YLY | 0.421769 | 0.821429 |
210 | TSB | 0.420635 | 0.809524 |
211 | ODP | 0.41958 | 0.922078 |
212 | A5A | 0.419355 | 0.819277 |
213 | FB0 | 0.419355 | 0.775281 |
214 | AV2 | 0.419355 | 0.855263 |
215 | NNR | 0.419048 | 0.739726 |
216 | LEU LMS | 0.418605 | 0.761364 |
217 | 649 | 0.417266 | 0.775281 |
218 | H1Q | 0.416667 | 0.917808 |
219 | NMN AMP PO4 | 0.416667 | 0.933333 |
220 | SSA | 0.416 | 0.790698 |
221 | P5A | 0.415385 | 0.755556 |
222 | LSS | 0.414062 | 0.772727 |
223 | 52H | 0.412698 | 0.790698 |
224 | A2R | 0.412698 | 0.918919 |
225 | JB6 | 0.412214 | 0.896104 |
226 | 5N5 | 0.411215 | 0.783784 |
227 | YSA | 0.410448 | 0.811765 |
228 | B1U | 0.410448 | 0.786517 |
229 | 53H | 0.409449 | 0.790698 |
230 | 5CA | 0.409449 | 0.790698 |
231 | ITT | 0.408333 | 0.878378 |
232 | 7D4 | 0.408333 | 0.844156 |
233 | NA7 | 0.407692 | 0.894737 |
234 | 5CD | 0.407407 | 0.794521 |
235 | 0WD | 0.406897 | 0.909091 |
236 | A3P | 0.40678 | 0.930556 |
237 | HFD | 0.406504 | 0.883117 |
238 | JSQ | 0.406504 | 0.883117 |
239 | AVV | 0.40625 | 0.860759 |
240 | RAB | 0.40566 | 0.808219 |
241 | XYA | 0.40566 | 0.808219 |
242 | ADN | 0.40566 | 0.808219 |
243 | FDA | 0.405063 | 0.823529 |
244 | CUU | 0.404959 | 0.905405 |
245 | V47 | 0.404762 | 0.821918 |
246 | GSU | 0.40458 | 0.790698 |
247 | 7MC | 0.404255 | 0.831325 |
248 | NSS | 0.403101 | 0.811765 |
249 | 6FA | 0.402516 | 0.853659 |
250 | PPS | 0.4 | 0.817073 |
251 | NVA LMS | 0.4 | 0.784091 |
This union binding pocket(no: 1) in the query (biounit: 5vh4.bio1) has 3 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5vh4.bio2) has 3 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |