Receptor
PDB id Resolution Class Description Source Keywords
2YK1 1.85 Å NON-ENZYME: IMMUNE STRUCTURE OF HUMAN ANTI-NICOTINE FAB FRAGMENT IN COMPLEX WIT HOMO SAPIENS IMMUNE SYSTEM MONOCLONAL ANTIBODIES ANTI-SMOKING VACCINE
Ref.: DIFFERENT BINDING MODES OF FREE AND CARRIER-PROTEIN NICOTINE IN A HUMAN MONOCLONAL ANTIBODY. J.MOL.BIOL. V. 415 118 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NCT H:300;
Valid;
none;
Kd = 7.4 nM
162.232 C10 H14 N2 C[N@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YKL 2.1 Å NON-ENZYME: IMMUNE STRUCTURE OF HUMAN ANTI-NICOTINE FAB FRAGMENT IN COMPLEX WIT NICOTINE-11-YL-METHYL-(4-ETHYLAMINO-4-OXO)-BUTANOATE HOMO SAPIENS IMMUNE SYSTEM MONOCLONAL ANTIBODIES ANTI-SMOKING VACCINE
Ref.: DIFFERENT BINDING MODES OF FREE AND CARRIER-PROTEIN NICOTINE IN A HUMAN MONOCLONAL ANTIBODY. J.MOL.BIOL. V. 415 118 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 2YKL - NLD C17 H25 N3 O3 CCNC(=O)CC....
2 2YK1 Kd = 7.4 nM NCT C10 H14 N2 C[N@@]1CCC....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 5EOR - ASP VAL GLN THR GLY ARG ARG PRO TYR GLU n/a n/a
2 3TV3 - MAN AML MAN MAN MAN MAN MAN MAN MAN n/a n/a
3 2YKL - NLD C17 H25 N3 O3 CCNC(=O)CC....
4 2YK1 Kd = 7.4 nM NCT C10 H14 N2 C[N@@]1CCC....
5 6LRA Kd = 0.41 uM VAL GLN ILE ILE ASN LYS n/a n/a
6 6BE4 - NAG NAG NAG NAG NAG n/a n/a
7 6BE3 - NAG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (253)
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@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NCT; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 NCT 1 1
2 HNK 0.530612 0.804348
3 HNL 0.530612 0.804348
Similar Ligands (3D)
Ligand no: 1; Ligand: NCT; Similar ligands found: 1203
No: Ligand Similarity coefficient
1 GVG 0.9928
2 JF6 0.9903
3 BNL 0.9892
4 1XA 0.9752
5 A9P 0.9731
6 TT4 0.9713
7 0BP 0.9691
8 M3H 0.9689
9 CH9 0.9672
10 IWT 0.9672
11 173 0.9662
12 4PN 0.9642
13 KTJ 0.9634
14 J9Q 0.9626
15 SMN 0.9612
16 PIY 0.9603
17 RMN 0.9598
18 1WC 0.9597
19 97T 0.9594
20 HIS 0.9594
21 PIM 0.9593
22 1Z6 0.9592
23 HNH 0.9586
24 K34 0.9581
25 XDK 0.9579
26 AOT 0.9578
27 JRB 0.9577
28 PJW 0.9577
29 MSR 0.9571
30 3QM 0.9565
31 RUY 0.9563
32 7VP 0.9562
33 9RW 0.9558
34 R20 0.9552
35 52C 0.9540
36 J9N 0.9531
37 A29 0.9521
38 L13 0.9519
39 PHE 0.9517
40 HQJ 0.9515
41 CPZ 0.9506
42 GRO 0.9503
43 1A7 0.9502
44 CFI 0.9499
45 9FL 0.9494
46 DC5 0.9490
47 HX4 0.9487
48 92K 0.9487
49 46P 0.9487
50 36Y 0.9485
51 N2Z 0.9471
52 HHH 0.9467
53 MPK 0.9465
54 PPY 0.9465
55 MPV 0.9464
56 S2P 0.9461
57 8OZ 0.9458
58 B40 0.9458
59 23J 0.9458
60 5VL 0.9456
61 SHI 0.9448
62 R2P 0.9447
63 SQ4 0.9446
64 DHI 0.9444
65 SAF 0.9438
66 SNU 0.9434
67 NFA 0.9432
68 M45 0.9428
69 DPN 0.9425
70 2F6 0.9423
71 HFA 0.9423
72 L5V 0.9416
73 CK2 0.9414
74 A9O 0.9408
75 7Q1 0.9395
76 DYT 0.9390
77 6TZ 0.9390
78 L22 0.9390
79 TIH 0.9375
80 FBM 0.9371
81 P58 0.9371
82 K7M 0.9371
83 B2Y 0.9370
84 1IT 0.9369
85 HF2 0.9366
86 BCK 0.9364
87 791 0.9360
88 9CA 0.9355
89 4P5 0.9351
90 50C 0.9348
91 BPY 0.9348
92 DE5 0.9347
93 FEH 0.9341
94 2ZM 0.9338
95 BHO 0.9333
96 0HO 0.9331
97 ESX 0.9330
98 BZ2 0.9329
99 F69 0.9326
100 HHI 0.9325
101 6NT 0.9325
102 B3U 0.9324
103 ISZ 0.9321
104 F9P 0.9321
105 3PF 0.9320
106 APG 0.9317
107 T2D 0.9315
108 SYM 0.9314
109 M4T 0.9313
110 G3E 0.9313
111 J5I 0.9313
112 SE2 0.9312
113 0HN 0.9311
114 C1M 0.9310
115 I1E 0.9310
116 D48 0.9310
117 NIZ 0.9310
118 ESP 0.9310
119 URS 0.9308
120 5QY 0.9307
121 JAW 0.9306
122 ABI 0.9305
123 PH3 0.9303
124 7QS 0.9301
125 J9T 0.9294
126 CK1 0.9293
127 A5E 0.9293
128 3CR 0.9293
129 INO 0.9291
130 ONR 0.9290
131 AMQ 0.9288
132 HDH 0.9287
133 RAT 0.9285
134 PHU 0.9285
135 JG8 0.9285
136 269 0.9284
137 4LV 0.9283
138 K6H 0.9283
139 4LW 0.9279
140 4JQ 0.9277
141 3A9 0.9276
142 AKG 0.9269
143 KJU 0.9268
144 L99 0.9267
145 3NY 0.9267
146 OGA 0.9267
147 RLG 0.9266
148 PZI 0.9266
149 6FZ 0.9261
150 LT2 0.9259
151 PAC 0.9259
152 1F1 0.9258
153 HL4 0.9255
154 TZF 0.9255
155 PTU 0.9253
156 HIC 0.9252
157 QY9 0.9252
158 ZYR 0.9252
159 PBA 0.9252
160 QUS 0.9250
161 LFC 0.9247
162 5XC 0.9247
163 DAL DAL 0.9246
164 X11 0.9246
165 OCH 0.9245
166 0F9 0.9244
167 SHA 0.9242
168 HSO 0.9241
169 0A9 0.9240
170 DHB 0.9238
171 PO6 0.9236
172 M1Z 0.9236
173 4JT 0.9235
174 H42 0.9234
175 SYV 0.9233
176 3LR 0.9230
177 P7Y 0.9230
178 03V 0.9229
179 9RH 0.9226
180 COU 0.9226
181 4WL 0.9226
182 M3E 0.9225
183 M6H 0.9224
184 BEA 0.9223
185 KTA 0.9222
186 4ZA 0.9221
187 SV4 0.9220
188 1L5 0.9219
189 I4B 0.9219
190 AN3 0.9217
191 NDH 0.9214
192 ALA ALA 0.9212
193 TYL 0.9212
194 1BN 0.9211
195 DI6 0.9206
196 5GU 0.9206
197 KDG 0.9201
198 Z5P 0.9198
199 2BG 0.9196
200 ALE 0.9196
201 XDE 0.9196
202 4V2 0.9196
203 8WO 0.9194
204 GLU 0.9193
205 2HU 0.9191
206 2HO 0.9190
207 4NC 0.9190
208 TZM 0.9188
209 BP3 0.9187
210 N2I 0.9187
211 49O 0.9185
212 BZE 0.9185
213 PHB 0.9185
214 SQ7 0.9182
215 R9S 0.9182
216 6NI 0.9181
217 2AQ 0.9180
218 5NI 0.9178
219 TGX 0.9178
220 TTL 0.9177
221 MYJ 0.9176
222 MQN 0.9175
223 KKN 0.9174
224 HJH 0.9173
225 GTK 0.9172
226 RNS 0.9172
227 FBB 0.9169
228 2AL 0.9166
229 GOJ 0.9165
230 A3M 0.9165
231 D3G 0.9164
232 Q03 0.9164
233 0JD 0.9164
234 ES5 0.9164
235 GJZ 0.9164
236 PAB 0.9162
237 XIY 0.9161
238 P9P 0.9160
239 7MU 0.9159
240 MXN 0.9158
241 15N 0.9158
242 4FS 0.9157
243 OTR 0.9155
244 KJM 0.9155
245 HQD 0.9154
246 N3W 0.9153
247 TPA 0.9153
248 NYL 0.9152
249 ENO 0.9151
250 FHC 0.9150
251 ICB 0.9150
252 069 0.9150
253 BCU 0.9150
254 2C2 0.9149
255 EN1 0.9149
256 92G 0.9145
257 ESI 0.9145
258 FK8 0.9144
259 Q02 0.9144
260 AVI 0.9144
261 86J 0.9144
262 E1T 0.9142
263 TYE 0.9140
264 HPS 0.9139
265 CXP 0.9139
266 LNR 0.9138
267 M74 0.9137
268 PBZ 0.9136
269 RNT 0.9135
270 GCO 0.9135
271 5WV 0.9135
272 K2T 0.9134
273 DQU 0.9133
274 0OC 0.9133
275 HC4 0.9131
276 A09 0.9130
277 NPO 0.9129
278 F4E 0.9127
279 CHB 0.9127
280 JDN 0.9126
281 0P6 0.9126
282 795 0.9125
283 268 0.9124
284 BRH 0.9122
285 0TU 0.9120
286 DIN 0.9120
287 GLN 0.9120
288 SD4 0.9117
289 2HG 0.9115
290 PEY 0.9114
291 DE3 0.9113
292 BZJ 0.9113
293 MTL 0.9112
294 7N0 0.9112
295 AY4 0.9112
296 SOR 0.9111
297 ET2 0.9111
298 I38 0.9111
299 EA1 0.9111
300 9W5 0.9111
301 9ON 0.9110
302 HQT 0.9109
303 DGN 0.9108
304 PMF 0.9106
305 QBS 0.9106
306 36E 0.9106
307 9TW 0.9106
308 MUC 0.9103
309 R8V 0.9103
310 39O 0.9101
311 XX2 0.9100
312 J9W 0.9100
313 IHB 0.9100
314 93K 0.9099
315 15E 0.9098
316 FDR 0.9098
317 REL 0.9094
318 B85 0.9092
319 K97 0.9091
320 61M 0.9090
321 QMP 0.9090
322 4VY 0.9089
323 717 0.9088
324 FUD 0.9087
325 SWA 0.9087
326 SYC 0.9086
327 W29 0.9085
328 FB2 0.9084
329 56D 0.9084
330 FCR 0.9083
331 PCS 0.9082
332 F16 0.9081
333 6RQ 0.9081
334 QSB 0.9080
335 AL0 0.9079
336 3ID 0.9079
337 M72 0.9077
338 CS2 0.9076
339 GZQ 0.9074
340 HNM 0.9072
341 ES7 0.9071
342 ASO 0.9071
343 X48 0.9070
344 ISN 0.9070
345 2HQ 0.9070
346 AEG 0.9069
347 KUF 0.9069
348 5WZ 0.9067
349 3QO 0.9067
350 4A3 0.9066
351 N4B 0.9066
352 ES2 0.9065
353 1P8 0.9065
354 258 0.9063
355 0N7 0.9063
356 61O 0.9062
357 FHB 0.9062
358 M5E 0.9062
359 SKM 0.9062
360 A7W 0.9060
361 KJH 0.9060
362 B62 0.9060
363 RJY 0.9057
364 AJV 0.9057
365 DHK 0.9056
366 8ZE 0.9055
367 MMS 0.9055
368 K80 0.9054
369 EDR 0.9053
370 1VK 0.9053
371 94W 0.9053
372 2D8 0.9052
373 NNO 0.9051
374 3OC 0.9051
375 2UB 0.9048
376 5QX 0.9048
377 7W4 0.9047
378 FBJ 0.9047
379 DEW 0.9046
380 CLU 0.9046
381 9ZE 0.9045
382 HGA 0.9045
383 344 0.9045
384 S2G 0.9043
385 7MK 0.9042
386 4YO 0.9041
387 FA1 0.9040
388 2FT 0.9040
389 256 0.9039
390 OOG 0.9038
391 HCI 0.9038
392 BZ3 0.9038
393 XIZ 0.9038
394 4MU 0.9038
395 6QF 0.9038
396 B09 0.9037
397 6HX 0.9037
398 HBD 0.9037
399 3HM 0.9036
400 O45 0.9035
401 AZ9 0.9035
402 CTL 0.9033
403 0NX 0.9032
404 ZBT 0.9031
405 6ME 0.9030
406 12Q 0.9030
407 ASP 0.9030
408 2IT 0.9029
409 GGL 0.9029
410 P72 0.9028
411 0QW 0.9027
412 1Y6 0.9027
413 BTM 0.9027
414 GDE 0.9027
415 TYC 0.9025
416 MNN 0.9024
417 HA5 0.9024
418 BNF 0.9024
419 X0V 0.9023
420 54D 0.9021
421 MOK 0.9020
422 DIR 0.9020
423 OK7 0.9020
424 4HP 0.9019
425 VNL 0.9019
426 1DJ 0.9018
427 TAR 0.9018
428 AQO 0.9018
429 2FY 0.9017
430 5OB 0.9017
431 BEN 0.9017
432 3YP 0.9016
433 BDP 0.9015
434 DTY 0.9015
435 HPP 0.9014
436 ODO 0.9011
437 BP6 0.9011
438 R9M 0.9010
439 7W1 0.9010
440 TSU 0.9010
441 CLW 0.9009
442 0W1 0.9009
443 RA7 0.9008
444 WOE 0.9008
445 2HC 0.9008
446 AHC 0.9007
447 GZ2 0.9007
448 CWJ 0.9006
449 N2Y 0.9006
450 DHY 0.9006
451 TYR 0.9005
452 3C4 0.9005
453 3Z8 0.9005
454 MES 0.9003
455 PRA 0.9003
456 MO8 0.9003
457 JA8 0.9002
458 ANN 0.9002
459 GBN 0.9000
460 1M2 0.8999
461 SAN 0.8999
462 PFF 0.8998
463 BEZ 0.8998
464 44V 0.8997
465 Q24 0.8997
466 PPT 0.8996
467 ASC 0.8995
468 URO 0.8995
469 MR1 0.8995
470 S8V 0.8994
471 XHP 0.8993
472 BPS 0.8993
473 HL5 0.8991
474 DMD 0.8991
475 12T 0.8990
476 8NX 0.8990
477 GLO 0.8989
478 YPN 0.8988
479 9R5 0.8988
480 QIC 0.8987
481 4SX 0.8986
482 ABV 0.8985
483 XAZ 0.8985
484 6HO 0.8984
485 E5X 0.8984
486 36R 0.8983
487 GVY 0.8983
488 PEP 0.8982
489 AC6 0.8982
490 BQ2 0.8980
491 PMB 0.8980
492 4MA 0.8980
493 4BF 0.8979
494 FTV 0.8979
495 QSH 0.8978
496 8WT 0.8978
497 JZA 0.8977
498 3ZB 0.8977
499 LDP 0.8976
500 XUL 0.8975
501 3PG 0.8975
502 HG3 0.8975
503 XYH 0.8975
504 PE0 0.8975
505 4HC 0.8975
506 PNZ 0.8975
507 ONL 0.8974
508 2MI 0.8974
509 M6N 0.8974
510 OTW 0.8974
511 4Z4 0.8974
512 GF4 0.8973
513 PD2 0.8973
514 KW8 0.8972
515 E7Z 0.8971
516 SPA 0.8971
517 CXF 0.8971
518 TZL 0.8970
519 MS9 0.8970
520 N8Y 0.8970
521 4RU 0.8970
522 OAA 0.8970
523 N8Z 0.8969
524 2B4 0.8969
525 GO2 0.8969
526 IZC 0.8968
527 RM1 0.8967
528 BP7 0.8966
529 HPV 0.8965
530 MRW 0.8965
531 C53 0.8964
532 M5K 0.8964
533 9FE 0.8963
534 GZL 0.8962
535 3R4 0.8961
536 EKZ 0.8961
537 M1Q 0.8960
538 1HN 0.8960
539 AJ2 0.8959
540 ANC 0.8959
541 MLT 0.8959
542 Q06 0.8958
543 152 0.8956
544 2PG 0.8955
545 DGL 0.8952
546 X0U 0.8952
547 GWM 0.8952
548 8CM 0.8951
549 OHP 0.8950
550 PBC 0.8949
551 J0Z 0.8948
552 PKU 0.8947
553 2QC 0.8947
554 DQA 0.8947
555 33S 0.8946
556 CTS 0.8946
557 92P 0.8946
558 PHI 0.8945
559 URC 0.8945
560 3BU 0.8944
561 9SE 0.8944
562 AX7 0.8943
563 2FQ 0.8943
564 EXD 0.8943
565 6XI 0.8942
566 TLA 0.8942
567 53C 0.8941
568 KDF 0.8941
569 AAS 0.8940
570 MUA 0.8940
571 IFP 0.8940
572 ZXD 0.8938
573 SOL 0.8937
574 1FF 0.8936
575 ICO 0.8935
576 OMD 0.8935
577 F4K 0.8934
578 4XF 0.8934
579 FBS 0.8933
580 44W 0.8931
581 GJP 0.8931
582 LT1 0.8931
583 5LA 0.8931
584 PDC 0.8931
585 270 0.8930
586 MVN 0.8930
587 XM0 0.8930
588 LMR 0.8930
589 UN1 0.8929
590 CLZ 0.8928
591 9UL 0.8927
592 0W8 0.8927
593 ZGL 0.8926
594 2AK 0.8926
595 5FX 0.8925
596 7BC 0.8925
597 BAM 0.8925
598 SRT 0.8924
599 JB5 0.8923
600 3SL 0.8923
601 7UZ 0.8920
602 KTW 0.8919
603 1Z8 0.8918
604 HDL 0.8917
605 ISD 0.8917
606 IPB 0.8917
607 2CL 0.8917
608 CN0 0.8916
609 LQ2 0.8916
610 FZM 0.8915
611 4J8 0.8915
612 TWO 0.8915
613 FF3 0.8914
614 5XB 0.8912
615 CIT 0.8912
616 DHZ 0.8911
617 KDV 0.8911
618 TCA 0.8911
619 VGD 0.8910
620 5RN 0.8910
621 H4E 0.8908
622 I3A 0.8907
623 0XT 0.8907
624 492 0.8906
625 J6W 0.8906
626 CWS 0.8905
627 Z82 0.8905
628 AX3 0.8904
629 SKA 0.8904
630 41K 0.8903
631 EHM 0.8902
632 3AL 0.8901
633 DEE 0.8900
634 GCU 0.8900
635 4FA 0.8899
636 4AA 0.8899
637 30G 0.8898
638 KOJ 0.8898
639 IV2 0.8898
640 MEQ 0.8898
641 263 0.8898
642 5VM 0.8897
643 SEP 0.8897
644 0FK 0.8895
645 8HC 0.8895
646 SPV 0.8893
647 UNU 0.8893
648 EQW 0.8892
649 BPN 0.8892
650 AZ8 0.8892
651 EVF 0.8891
652 NGO 0.8891
653 6J9 0.8890
654 DAH 0.8890
655 4TU 0.8890
656 DNF 0.8890
657 0FO 0.8890
658 1SA 0.8890
659 YZM 0.8889
660 YOF 0.8889
661 AJY 0.8889
662 3MB 0.8888
663 PXL 0.8888
664 NGT 0.8888
665 NGW 0.8888
666 E35 0.8887
667 OSE 0.8887
668 8GL 0.8887
669 2TQ 0.8886
670 4BL 0.8886
671 9AP 0.8886
672 AOS 0.8885
673 XX3 0.8885
674 DHS 0.8884
675 826 0.8884
676 OVM 0.8884
677 FGZ 0.8884
678 45L 0.8883
679 BNS 0.8883
680 HXY 0.8883
681 TOH 0.8883
682 8TX 0.8882
683 3QV 0.8880
684 DRG 0.8880
685 NCA 0.8880
686 3VW 0.8878
687 DS0 0.8878
688 2AS 0.8878
689 5JQ 0.8877
690 DOB 0.8877
691 ORO 0.8877
692 3MF 0.8876
693 2LY 0.8875
694 SLY 0.8875
695 MEW 0.8875
696 5RO 0.8874
697 1KP 0.8873
698 4BY 0.8871
699 R9Y 0.8871
700 NIO 0.8871
701 AMS 0.8870
702 YRL 0.8870
703 RSO 0.8870
704 KT7 0.8870
705 GUA 0.8870
706 8W9 0.8869
707 BHA 0.8869
708 GLC 0.8869
709 C82 0.8869
710 264 0.8868
711 RB5 0.8868
712 XYL 0.8868
713 091 0.8868
714 14O 0.8868
715 2O6 0.8868
716 5CU 0.8868
717 OVV 0.8868
718 FA0 0.8866
719 N9J 0.8866
720 XQ0 0.8865
721 JB8 0.8865
722 F60 0.8864
723 AEF 0.8864
724 BGC 0.8864
725 5H1 0.8863
726 P92 0.8863
727 6KT 0.8863
728 13P 0.8862
729 EGR 0.8862
730 PH2 0.8862
731 JAH 0.8861
732 3HP 0.8861
733 5NU 0.8861
734 R67 0.8860
735 HWD 0.8858
736 SDD 0.8857
737 JND 0.8857
738 MXD 0.8856
739 LDR 0.8856
740 SRO 0.8856
741 FUM 0.8855
742 1LQ 0.8854
743 ADA 0.8853
744 BTY 0.8852
745 TH7 0.8852
746 DX3 0.8852
747 XRS 0.8851
748 2K4 0.8850
749 XBT 0.8849
750 SJ5 0.8849
751 XQI 0.8849
752 KYN 0.8847
753 7ME 0.8847
754 FMQ 0.8846
755 F31 0.8846
756 C2Y 0.8846
757 E7S 0.8846
758 AA 0.8846
759 UNJ 0.8846
760 3HB 0.8845
761 60Q 0.8844
762 SW7 0.8844
763 ISA 0.8844
764 T9G 0.8844
765 AC0 0.8842
766 HY1 0.8842
767 OXC 0.8842
768 5MI 0.8841
769 4FH 0.8841
770 977 0.8840
771 692 0.8839
772 1P7 0.8839
773 FBW 0.8837
774 OKG 0.8837
775 505 0.8837
776 4ZD 0.8837
777 PZA 0.8836
778 LT8 0.8835
779 PBN 0.8835
780 6FB 0.8834
781 VXX 0.8834
782 M58 0.8831
783 4M0 0.8831
784 MWP 0.8831
785 AMH 0.8830
786 8U3 0.8830
787 428 0.8830
788 54F 0.8829
789 FB1 0.8828
790 NVU 0.8827
791 JVN 0.8826
792 MAQ 0.8825
793 5ZZ 0.8823
794 KMH 0.8823
795 TOF 0.8823
796 YIE 0.8822
797 6PC 0.8820
798 F9Y 0.8819
799 4NM 0.8819
800 C0H 0.8818
801 JBH 0.8818
802 PA1 0.8817
803 4NB 0.8817
804 HX8 0.8816
805 RBJ 0.8816
806 DHC 0.8816
807 OBP 0.8815
808 GAB 0.8815
809 5FN 0.8815
810 49F 0.8815
811 VNJ 0.8815
812 TSR 0.8814
813 GTQ 0.8814
814 TAG 0.8812
815 4BZ 0.8811
816 OW4 0.8810
817 ROI 0.8809
818 CFA 0.8809
819 NPY 0.8809
820 BPU 0.8809
821 MAJ 0.8809
822 9PL 0.8808
823 Q04 0.8807
824 B4O 0.8807
825 AVJ 0.8807
826 FA3 0.8806
827 TEO 0.8806
828 0LH 0.8806
829 ANF 0.8806
830 TVP 0.8805
831 R9J 0.8804
832 YCP 0.8804
833 68A 0.8804
834 UFV 0.8804
835 3AB 0.8803
836 QWN 0.8803
837 SAL 0.8802
838 4ME 0.8801
839 IAC 0.8801
840 DOR 0.8801
841 E0O 0.8800
842 51R 0.8799
843 1NP 0.8799
844 E3X 0.8799
845 BE2 0.8798
846 PGA 0.8798
847 6M4 0.8796
848 JYD 0.8796
849 4I8 0.8793
850 GZ3 0.8792
851 3NT 0.8792
852 SIN 0.8792
853 THU 0.8791
854 GLY GLY 0.8791
855 PEL 0.8791
856 5HN 0.8790
857 FBV 0.8790
858 NTN 0.8790
859 1DV 0.8788
860 363 0.8788
861 FAN 0.8788
862 JLZ 0.8787
863 D1X 0.8787
864 GLY PRO 0.8784
865 174 0.8784
866 XXP 0.8783
867 QSC 0.8782
868 QUZ 0.8782
869 P80 0.8782
870 8XL 0.8782
871 LDC 0.8781
872 DDU 0.8781
873 L03 0.8781
874 FLC 0.8781
875 BZX 0.8780
876 27B 0.8780
877 1SQ 0.8780
878 5SG 0.8778
879 B60 0.8778
880 COI 0.8776
881 PRZ 0.8776
882 2BX 0.8776
883 80G 0.8775
884 SBK 0.8775
885 5MB 0.8774
886 AHN 0.8773
887 5IQ 0.8773
888 DRL 0.8773
889 GNW 0.8773
890 Q88 0.8773
891 HBO 0.8772
892 5JT 0.8771
893 FP1 0.8771
894 3HG 0.8770
895 KYA 0.8768
896 4YS 0.8768
897 YTX 0.8767
898 2D0 0.8766
899 HHS 0.8766
900 TSS 0.8765
901 F06 0.8765
902 XCZ 0.8765
903 DCZ 0.8763
904 6ZX 0.8761
905 M6W 0.8761
906 PZM 0.8761
907 SS1 0.8760
908 LL1 0.8758
909 7C3 0.8757
910 2CK 0.8757
911 54E 0.8757
912 IFL 0.8757
913 11S 0.8756
914 OQC 0.8756
915 PGH 0.8754
916 QX4 0.8754
917 XLS 0.8752
918 HHR 0.8752
919 XRX 0.8752
920 28N 0.8751
921 M0Q 0.8751
922 CEE 0.8750
923 X0W 0.8750
924 2JM 0.8750
925 LEU 0.8749
926 24W 0.8747
927 QXW 0.8747
928 A6H 0.8746
929 RP5 0.8745
930 Q6T 0.8745
931 7WG 0.8744
932 F05 0.8744
933 NBZ 0.8744
934 PEA 0.8743
935 271 0.8743
936 A5H 0.8743
937 1X4 0.8742
938 DBH 0.8742
939 CCU 0.8741
940 CLT 0.8741
941 2A9 0.8740
942 6AI 0.8740
943 N5J 0.8739
944 75K 0.8738
945 GAL 0.8738
946 Q71 0.8738
947 DBX 0.8738
948 PEQ 0.8738
949 K5W 0.8738
950 SME 0.8737
951 NMM 0.8736
952 BSX 0.8735
953 NHG 0.8735
954 JYB 0.8735
955 3BZ 0.8735
956 HMH 0.8735
957 GLY ALA 0.8734
958 DAS 0.8733
959 ES0 0.8733
960 TIU 0.8733
961 54G 0.8732
962 SQP 0.8731
963 DUR 0.8731
964 CRN 0.8730
965 4HB 0.8727
966 MAH 0.8726
967 F12 0.8726
968 JPZ 0.8725
969 5B1 0.8724
970 G12 0.8724
971 HQ9 0.8723
972 TMG 0.8723
973 1LM 0.8722
974 SVD 0.8722
975 A7K 0.8721
976 CXH 0.8720
977 GLL 0.8720
978 DHR 0.8720
979 G3H 0.8719
980 5Q0 0.8719
981 G3P 0.8719
982 FPL 0.8719
983 SWX 0.8718
984 1AL 0.8717
985 LCN 0.8717
986 JAE 0.8717
987 ES1 0.8715
988 JXN 0.8715
989 5RG 0.8715
990 RNO 0.8715
991 M4E 0.8714
992 PQK 0.8714
993 CH8 0.8713
994 NOJ 0.8713
995 5TY 0.8712
996 0FN 0.8711
997 6M9 0.8710
998 20J 0.8710
999 34D 0.8709
1000 CWM 0.8709
1001 AW5 0.8709
1002 1DW 0.8708
1003 7MX 0.8707
1004 67N 0.8707
1005 259 0.8706
1006 3HA 0.8706
1007 GTC 0.8706
1008 GTR 0.8706
1009 HQY 0.8705
1010 3F0 0.8705
1011 8G0 0.8705
1012 7R4 0.8703
1013 I3E 0.8702
1014 4CS 0.8702
1015 GCB 0.8702
1016 7VS 0.8701
1017 WCE 0.8700
1018 SS2 0.8700
1019 A13 0.8699
1020 7WV 0.8698
1021 BRT 0.8698
1022 B55 0.8696
1023 0OL 0.8696
1024 GNM 0.8696
1025 XCG 0.8695
1026 Y4L 0.8694
1027 S7A 0.8694
1028 ES9 0.8692
1029 APS 0.8692
1030 BVA 0.8692
1031 FK1 0.8691
1032 XRG 0.8691
1033 3U4 0.8691
1034 449 0.8690
1035 KBB 0.8690
1036 I5A 0.8689
1037 3FH 0.8689
1038 LYS 0.8688
1039 SOE 0.8687
1040 42J 0.8687
1041 2LP 0.8686
1042 B5D 0.8686
1043 5AE 0.8686
1044 XXG 0.8685
1045 INE 0.8684
1046 APZ 0.8682
1047 5GT 0.8682
1048 CTN 0.8678
1049 293 0.8677
1050 GP9 0.8677
1051 NF3 0.8675
1052 JTH 0.8675
1053 NID 0.8675
1054 3M0 0.8674
1055 DNA 0.8674
1056 O2A 0.8674
1057 X1S 0.8674
1058 M1A 0.8673
1059 8NB 0.8673
1060 MJ5 0.8673
1061 THA 0.8672
1062 0V5 0.8672
1063 S0G 0.8670
1064 JP2 0.8669
1065 GXY 0.8668
1066 7O4 0.8668
1067 261 0.8668
1068 4P0 0.8666
1069 VGL 0.8665
1070 DBJ 0.8662
1071 MNM 0.8660
1072 CCE 0.8660
1073 SXS 0.8659
1074 SOV 0.8658
1075 6VD 0.8658
1076 DPT 0.8658
1077 OA3 0.8657
1078 9KT 0.8656
1079 2TU 0.8655
1080 7WR 0.8655
1081 4XH 0.8654
1082 CCV 0.8654
1083 RXA 0.8653
1084 S0E 0.8652
1085 RQD 0.8652
1086 3C7 0.8651
1087 V1T 0.8651
1088 ZME 0.8648
1089 IC9 0.8648
1090 HBA 0.8648
1091 C5A 0.8643
1092 TYU 0.8642
1093 M4S 0.8641
1094 DTR 0.8641
1095 S7J 0.8641
1096 RHU 0.8641
1097 4FP 0.8640
1098 1WD 0.8640
1099 5M0 0.8637
1100 7ZL 0.8635
1101 FQI 0.8635
1102 JZ4 0.8634
1103 E4P 0.8634
1104 H5B 0.8633
1105 KMY 0.8633
1106 TRP 0.8633
1107 289 0.8632
1108 ES6 0.8631
1109 4XV 0.8630
1110 EV0 0.8630
1111 SNO 0.8630
1112 PRY 0.8630
1113 S60 0.8628
1114 A9K 0.8628
1115 9PY 0.8628
1116 JR2 0.8628
1117 NAG 0.8627
1118 ZZZ 0.8626
1119 0VT 0.8626
1120 SDF 0.8626
1121 G8M 0.8625
1122 A4N 0.8624
1123 JF2 0.8622
1124 BGU 0.8621
1125 MAN 0.8620
1126 Q7A 0.8620
1127 NDG 0.8619
1128 SQV 0.8619
1129 2ZQ 0.8619
1130 VK3 0.8617
1131 HSX 0.8616
1132 HHT 0.8615
1133 2K8 0.8613
1134 6W6 0.8611
1135 ABF 0.8610
1136 IOM 0.8610
1137 32X 0.8610
1138 7ZE 0.8609
1139 Z13 0.8609
1140 XSP 0.8608
1141 AAN 0.8607
1142 MNP 0.8606
1143 EVA 0.8606
1144 IT2 0.8604
1145 SYG 0.8604
1146 MP5 0.8604
1147 4HM 0.8603
1148 NQ 0.8602
1149 KWH 0.8602
1150 EUG 0.8601
1151 SLC 0.8600
1152 SHF 0.8600
1153 57O 0.8600
1154 9BF 0.8599
1155 ATX 0.8597
1156 JXZ 0.8597
1157 SNE 0.8595
1158 URI 0.8595
1159 X05 0.8594
1160 6SD 0.8593
1161 FA6 0.8592
1162 3B4 0.8591
1163 TTY 0.8590
1164 MFU 0.8585
1165 3AE 0.8585
1166 LR5 0.8585
1167 4XS 0.8584
1168 NLE 0.8583
1169 PAU 0.8583
1170 NMJ 0.8581
1171 7B3 0.8580
1172 8NY 0.8579
1173 ERZ 0.8575
1174 2PV 0.8575
1175 IOS 0.8574
1176 FBF 0.8573
1177 1KN 0.8572
1178 ANU 0.8564
1179 TLM 0.8564
1180 FOT 0.8562
1181 MT5 0.8560
1182 8IG 0.8559
1183 42C 0.8556
1184 GPF 0.8556
1185 AKH 0.8554
1186 6DP 0.8554
1187 5WY 0.8550
1188 PSE 0.8545
1189 4VP 0.8545
1190 QMR 0.8544
1191 8GC 0.8544
1192 FBU 0.8544
1193 WOT 0.8540
1194 FWD 0.8540
1195 MSL 0.8538
1196 4JC 0.8533
1197 4NZ 0.8529
1198 HHA 0.8528
1199 R9G 0.8528
1200 9KH 0.8525
1201 PQ0 0.8515
1202 6BL 0.8512
1203 2PK 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YKL; Ligand: NLD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2ykl.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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