Receptor
PDB id Resolution Class Description Source Keywords
6LOV 1.35 Å EC: 3.2.2.22 CRYSTAL STRUCTURE OF ALPHA-MOMORCHARIN IN COMPLEX WITH XANTH MOMORDICA CHARANTIA ALPHA-MOMORCHARIN RIBOSOME-INACTIVATING PROTEIN RRNA N-GLYXANTHOSINE PLANT PROTEIN
Ref.: ATOMIC-RESOLUTION STRUCTURES OF TYPE I RIBOSOME INA PROTEIN ALPHA-MOMORCHARIN WITH DIFFERENT SUBSTRATE INT.J.BIOL.MACROMOL. V. 164 265 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4UO A:301;
 Valid;
 none;
 submit data
284.225 C10 H12 N4 O6 c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6LOZ 1.08 Å EC: 3.2.2.22 CRYSTAL STRUCTURE OF ALPHA-MOMORCHARIN IN COMPLEX WITH ADENI MOMORDICA CHARANTIA ALPHA-MOMORCHARIN RIBOSOME-INACTIVATING PROTEIN RRNA N-GLYADENINE PLANT PROTEIN
Ref.: ATOMIC-RESOLUTION STRUCTURES OF TYPE I RIBOSOME INA PROTEIN ALPHA-MOMORCHARIN WITH DIFFERENT SUBSTRATE INT.J.BIOL.MACROMOL. V. 164 265 2020
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 6LOW - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
2 6LOZ - ADE C5 H5 N5 c1[nH]c2c(....
3 6LP0 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 6LOY - D5M C10 H14 N5 O6 P c1nc(c2c(n....
5 1MRH - FMC C10 H13 N5 O4 c1nc2c(c(n....
6 6LOQ - CMP C10 H12 N5 O6 P c1nc(c2c(n....
7 6LOV - 4UO C10 H12 N4 O6 c1nc2c(n1[....
8 1MRG - ADN C10 H13 N5 O4 c1nc(c2c(n....
9 6LOR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 6LOW - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
2 6LOZ - ADE C5 H5 N5 c1[nH]c2c(....
3 6LP0 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 6LOY - D5M C10 H14 N5 O6 P c1nc(c2c(n....
5 1MRH - FMC C10 H13 N5 O4 c1nc2c(c(n....
6 6LOQ - CMP C10 H12 N5 O6 P c1nc(c2c(n....
7 6LOV - 4UO C10 H12 N4 O6 c1nc2c(n1[....
8 1MRG - ADN C10 H13 N5 O4 c1nc(c2c(n....
9 6LOR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 1MRK - FMC C10 H13 N5 O4 c1nc2c(c(n....
11 1QD2 - ADE C5 H5 N5 c1[nH]c2c(....
12 1TCS - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
13 1MRJ - ADN C10 H13 N5 O4 c1nc(c2c(n....
14 1NLI Kd = 260 uM ADE C5 H5 N5 c1[nH]c2c(....
15 1GIS - DA C10 H14 N5 O6 P c1nc(c2c(n....
16 1AHB - FMP C10 H14 N5 O7 P c1nc2c(c(n....
17 1AHA - ADE C5 H5 N5 c1[nH]c2c(....
18 3N1N - GUN C5 H5 N5 O c1[nH]c2c(....
19 3V2K - ADE C5 H5 N5 c1[nH]c2c(....
20 3RL9 - ADE C5 H5 N5 c1[nH]c2c(....
21 3SJ6 - RIP C5 H10 O5 C1[C@H]([C....
22 3U6Z - ADE C5 H5 N5 c1[nH]c2c(....
50% Homology Family (60)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5DDZ - ASP ASP ASP MET GLY PHE GLY LEU PHE ASP n/a n/a
2 4MX5 ic50 = 28 uM 5MX C17 H17 N7 O4 c1ccc(cc1)....
3 4HV7 ic50 = 300 uM 19J C11 H11 N7 O5 c1c(nc2c(n....
4 3PX8 ic50 = 230 uM JP2 C7 H5 N5 O3 c1c(nc2c(n....
5 5GU4 Kd = 3.4 uM ASP ASP MET GLY PHE GLY LEU PHE ASP n/a n/a
6 1BR6 Ki = 0.6 mM PT1 C14 H12 N6 O3 c1cc(ccc1C....
7 4ESI ic50 = 70 uM 0RB C10 H9 N9 O2 c1c([nH]nn....
8 4HV3 ic50 = 115 uM 19L C21 H20 N8 O6 c1ccc2c(c1....
9 1BR5 Ki > 2 mM NEO C9 H11 N5 O4 c1c(nc2c(n....
10 3EJ5 ic50 = 0.27 mM EJ5 C14 H15 N3 O4 c1cc(ccc1C....
11 4MX1 ic50 = 209 uM 1MX C16 H16 N8 O3 c1ccc(cc1)....
12 3PX9 ic50 = 380 uM JP3 C12 H10 N6 O3 c1cc(oc1)C....
13 4HUO ic50 = 20 uM RS8 C18 H17 N7 O5 c1ccc(cc1)....
14 2P8N Kd = 0.7 mM ADE C5 H5 N5 c1[nH]c2c(....
15 1J1M - GLC GLC n/a n/a
16 4Q2V - 0XE C21 H18 O11 c1ccc(cc1)....
17 6URY ic50 = 400 uM R6T C14 H9 N O2 c1ccc2c(c1....
18 4HUP ic50 = 15 uM 19M C27 H26 N8 O6 c1ccc(cc1)....
19 1IFS - ADE C5 H5 N5 c1[nH]c2c(....
20 1IFU - FMC C10 H13 N5 O4 c1nc2c(c(n....
21 3HIO - C2X C51 H72 N21 O29 P5 CO[C@@H]1[....
22 6URX ic50 = 181 uM JMG C11 H8 O2 S c1ccc(cc1)....
23 2PJO Kd = 900 mM NMU C2 H6 N2 O CNC(=O)N
24 2R3D Kd = 1.4 M ACM C2 H5 N O CC(=O)N
25 6URW ic50 = 32 uM R7T C12 H10 O2 S c1cc(sc1)C....
26 6LOZ - ADE C5 H5 N5 c1[nH]c2c(....
27 6LP0 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
28 6LOY - D5M C10 H14 N5 O6 P c1nc(c2c(n....
29 1MRH - FMC C10 H13 N5 O4 c1nc2c(c(n....
30 6LOQ - CMP C10 H12 N5 O6 P c1nc(c2c(n....
31 6LOV - 4UO C10 H12 N4 O6 c1nc2c(n1[....
32 1MRG - ADN C10 H13 N5 O4 c1nc(c2c(n....
33 6LOR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
34 3KU0 - ADE C5 H5 N5 c1[nH]c2c(....
35 2QET - ADE C5 H5 N5 c1[nH]c2c(....
36 1LPC - CMP C10 H12 N5 O6 P c1nc(c2c(n....
37 1GIU - ADE C5 H5 N5 c1[nH]c2c(....
38 1MRK - FMC C10 H13 N5 O4 c1nc2c(c(n....
39 1QD2 - ADE C5 H5 N5 c1[nH]c2c(....
40 1TCS - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
41 1MRJ - ADN C10 H13 N5 O4 c1nc(c2c(n....
42 1NLI Kd = 260 uM ADE C5 H5 N5 c1[nH]c2c(....
43 1GIS - DA C10 H14 N5 O6 P c1nc(c2c(n....
44 1AHB - FMP C10 H14 N5 O7 P c1nc2c(c(n....
45 1AHA - ADE C5 H5 N5 c1[nH]c2c(....
46 3N1N - GUN C5 H5 N5 O c1[nH]c2c(....
47 3V2K - ADE C5 H5 N5 c1[nH]c2c(....
48 3RL9 - ADE C5 H5 N5 c1[nH]c2c(....
49 3SJ6 - RIP C5 H10 O5 C1[C@H]([C....
50 3U6Z - ADE C5 H5 N5 c1[nH]c2c(....
51 1J1S - FMP C10 H14 N5 O7 P c1nc2c(c(n....
52 1D6A - GUN C5 H5 N5 O c1[nH]c2c(....
53 1QCJ - APT C14 H13 N6 O3 c1cc(ccc1C....
54 1QCI - ADE C5 H5 N5 c1[nH]c2c(....
55 3LE7 - ADE C5 H5 N5 c1[nH]c2c(....
56 5Z3J - NCA C6 H6 N2 O c1cc(cnc1)....
57 5Z3I - ADE C5 H5 N5 c1[nH]c2c(....
58 3HIW Ki = 3.9 nM C2X C51 H72 N21 O29 P5 CO[C@@H]1[....
59 3HIV Ki = 7.5 nM TXN C37 H52 N15 O20 P3 CO[C@@H]1[....
60 3HIT Ki = 6.4 nM DYN C30 H47 N10 O17 P3 CO[C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4UO; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 XTS 1 1
2 4UO 1 1
3 CZF 0.644737 0.888889
4 13A 0.565217 0.810127
5 GMP 0.472973 0.913043
6 NOS 0.445946 0.910448
7 MZR 0.42029 0.835821
8 93A 0.416667 0.768293
9 6CG 0.411765 0.782051
Similar Ligands (3D)
Ligand no: 1; Ligand: 4UO; Similar ligands found: 158
No: Ligand Similarity coefficient
1 ADN 0.9796
2 CL9 0.9708
3 IMG 0.9701
4 1DA 0.9690
5 2FA 0.9644
6 GNG 0.9641
7 TBN 0.9639
8 A4D 0.9622
9 AD3 0.9607
10 FMB 0.9598
11 6CR 0.9596
12 MG7 0.9596
13 5AD 0.9590
14 5NB 0.9588
15 PRH 0.9569
16 8HG 0.9527
17 MTA 0.9516
18 HPR 0.9501
19 FMC 0.9500
20 5ID 0.9499
21 FTU 0.9495
22 IMH 0.9494
23 A 0.9489
24 5CD 0.9486
25 9DI 0.9485
26 UA2 0.9483
27 ARJ 0.9466
28 NOC 0.9466
29 3D1 0.9451
30 2FD 0.9448
31 5FD 0.9444
32 NWW 0.9444
33 CDY 0.9440
34 CFE 0.9439
35 5N5 0.9435
36 8OX 0.9415
37 EKH 0.9413
38 3BH 0.9400
39 3AD 0.9386
40 RFZ 0.9378
41 PUR 0.9369
42 F01 0.9364
43 TAL 0.9360
44 DBM 0.9357
45 Y3J 0.9339
46 7D7 0.9294
47 H7S 0.9279
48 6MD 0.9274
49 MTH 0.9256
50 RPP 0.9249
51 5I5 0.9246
52 MDR 0.9238
53 XYA 0.9232
54 MTI 0.9215
55 5F1 0.9207
56 7CI 0.9178
57 26A 0.9149
58 5UD 0.9142
59 THM 0.9139
60 5BT 0.9125
61 DCF 0.9124
62 MCF 0.9117
63 CC5 0.9114
64 5MD 0.9111
65 MCY 0.9101
66 PE2 0.9094
67 3L1 0.9091
68 NWQ 0.9085
69 BVD 0.9074
70 SGP 0.9071
71 HO4 0.9070
72 ZYV 0.9054
73 TO1 0.9051
74 GA2 0.9050
75 RAB 0.9048
76 MTP 0.9041
77 0DN 0.9039
78 3DT 0.9038
79 ID2 0.9030
80 AFX 0.9028
81 ZJB 0.8985
82 92O 0.8960
83 B86 0.8957
84 A4V 0.8954
85 CQW 0.8914
86 XYP AHR 0.8912
87 KF5 0.8901
88 2UD 0.8897
89 QQY 0.8896
90 NEC 0.8888
91 IM5 0.8884
92 PCG 0.8870
93 RBV 0.8869
94 5F7 0.8869
95 URI 0.8867
96 TIA 0.8866
97 SP1 0.8864
98 CTN 0.8858
99 2L2 0.8842
100 HBI 0.8842
101 BC3 0.8837
102 NIR 0.8837
103 NEO 0.8835
104 DUR 0.8821
105 FSU 0.8819
106 NQ7 0.8815
107 P2L 0.8808
108 SGV 0.8786
109 5P7 0.8776
110 GLC FRU 0.8776
111 3GP 0.8764
112 DS8 0.8761
113 DCZ 0.8759
114 DG 0.8756
115 SCT 0.8756
116 DGP 0.8742
117 RVD 0.8741
118 XMP 0.8740
119 9E3 0.8735
120 35G 0.8732
121 QQX 0.8726
122 94M 0.8721
123 78P 0.8720
124 ACE TRP 0.8719
125 9UL 0.8718
126 ACK 0.8713
127 Q11 0.8713
128 0GA 0.8712
129 6U5 0.8706
130 4GU 0.8705
131 4AB 0.8705
132 1Q4 0.8702
133 CTE 0.8700
134 88R 0.8692
135 XEV 0.8687
136 ZIQ 0.8684
137 8P3 0.8683
138 DNB 0.8681
139 MH5 0.8674
140 CCV 0.8674
141 DTE 0.8668
142 6J3 0.8668
143 3Y7 0.8667
144 NWD 0.8662
145 SY4 0.8658
146 H2B 0.8658
147 145 0.8655
148 NXB 0.8640
149 96Z 0.8634
150 VAO 0.8602
151 2LW 0.8588
152 A3N 0.8577
153 MPU 0.8570
154 3AK 0.8567
155 X29 0.8564
156 CTD 0.8560
157 KWB 0.8558
158 RP1 0.8556
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6LOZ; Ligand: ADE; 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: 6loz.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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