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Receptor
PDB id Resolution Class Description Source Keywords
1OJ1 2.1 Å EC: 3.-.-.- NONPRODUCTIVE AND NOVEL BINDING MODES IN CYTOTOXIC RIBONUCLE RANA CATESBEIANA OF TWO CRYSTAL STRUCTURES COMPLEXED WITH (A ND D(APCPGPA) RANA CATESBEIANA CYTOTOXIC RIBONUCLEASES ANTI-TUMOR ACTIVITY SIALIC BINDINGNUCLEOTIDE BINDING HYDROLASE
Ref.: NONPRODUCTIVE AND NOVEL BINDING MODES IN CYTOTOXIC RIBONUCLEASES FROM RANA CATESBEIANA OF TWO CRYSTAL STRUCTURES COMPLEXED WITH C(2,5 CPG) AND D(APCPGPA) TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CG2 A:1106;
Valid;
none;
submit data
588.422 C19 H25 N8 O12 P c1nc2...
SO4 A:1107;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OJ8 1.7 Å EC: 3.-.-.- NOVEL AND RETRO BINDING MODES IN CYTOTOXIC RIBONUCLEASES FROM RANA CATESBEIANA OF TWO CRYSTAL STRUCTURES COMPLEXED W ITH D(APCPGPA) AND (2',5'CPG) RANA CATESBEIANA CYTOTOXIC RIBONUCLEASES ANTI-TUMOR ACTIVITY SIALIC BINDING AND NUCLEOTIDE BINDING HYDROLASE
Ref.: RETRO AND NOVEL BINDING MODES IN CYTOTOXIC RIBONUCLEASES FROM RANA CATESBEIANA OF TWO CRYSTAL STRUCTURES COMPLEXED WITH (2',5'CPG) AND D(APCPGPA) TO BE PUBLISHED
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 1OJ8 - DA DC DG DA n/a n/a
2 1OJ1 - CG2 C19 H25 N8 O12 P c1nc2c(n1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1OJ8 - DA DC DG DA n/a n/a
2 1OJ1 - CG2 C19 H25 N8 O12 P c1nc2c(n1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1OJ8 - DA DC DG DA n/a n/a
2 1OJ1 - CG2 C19 H25 N8 O12 P c1nc2c(n1[....
3 2I5S - DA DU DG DA n/a n/a
4 2GMK Ki = 590 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CG2; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 CG2 1 1
2 U2G 0.8 1
3 GPG 0.71028 0.95
4 GPC 0.68595 0.939759
5 G C 0.634146 0.9625
6 GDP 0.622642 0.936709
7 GNH 0.616822 0.925
8 GP3 0.613208 0.9375
9 GSP 0.609091 0.891566
10 G 0.605769 0.924051
11 5GP 0.605769 0.924051
12 GTP 0.605505 0.936709
13 G G G RPC 0.595238 0.91358
14 GMV 0.590909 0.91358
15 GCP 0.585586 0.91358
16 G1R 0.585586 0.925
17 GDC 0.584746 0.95
18 GDD 0.584746 0.95
19 GKE 0.584746 0.95
20 GNP 0.580357 0.91358
21 9GM 0.580357 0.91358
22 A G C C 0.575758 0.95
23 GAV 0.570175 0.902439
24 G2R 0.568965 0.902439
25 G G G C 0.568182 0.950617
26 GP2 0.563636 0.902439
27 G C C C 0.558824 0.9625
28 GKD 0.552846 0.95
29 G2P 0.552632 0.902439
30 6CK 0.54918 0.903614
31 UPA 0.543307 0.925
32 G4P 0.543103 0.924051
33 GTG 0.540984 0.903614
34 GFB 0.540984 0.925926
35 GDR 0.540984 0.925926
36 JB2 0.540323 0.925926
37 0O2 0.537815 0.924051
38 YGP 0.53719 0.915663
39 G3A 0.536585 0.9375
40 ALF 5GP 0.535088 0.837209
41 Y9Z 0.532787 0.872093
42 G5P 0.532258 0.9375
43 GMP 0.529412 0.848101
44 G3D 0.525862 0.924051
45 GDX 0.52381 0.9375
46 GPD 0.52381 0.892857
47 NGD 0.523077 0.925926
48 G U 0.519084 0.9625
49 ZGP 0.519084 0.840909
50 UCG 0.517986 0.95
51 G G 0.516129 0.91358
52 JB3 0.515385 0.914634
53 CGP 0.515152 0.927711
54 2GP 0.513761 0.924051
55 FEG 0.51145 0.850575
56 TPG 0.510791 0.855556
57 GDP AF3 0.508333 0.837209
58 GDP ALF 0.508333 0.837209
59 ALF GDP 0.508333 0.837209
60 3GP 0.5 0.911392
61 C2P 0.490385 0.860759
62 FE9 0.489209 0.791667
63 G A A A 0.485294 0.91358
64 A G 0.485294 0.901235
65 GDP 7MG 0.484375 0.879518
66 U A G G 0.481752 0.901235
67 MGD 0.478261 0.905882
68 CAG 0.478261 0.852273
69 2MD 0.477941 0.905882
70 PGD 0.475177 0.915663
71 DBG 0.468531 0.914634
72 MD1 0.464789 0.905882
73 A G U 0.463576 0.950617
74 G U34 0.463235 0.950617
75 GCP G 0.460317 0.864198
76 A G U U 0.458065 0.950617
77 DC DG 0.456522 0.904762
78 G1G 0.450704 0.892857
79 GPX 0.44 0.8875
80 G4M 0.437909 0.873563
81 P2G 0.42735 0.851852
82 BGO 0.42446 0.891566
83 AKW 0.42446 0.860465
84 GH3 0.424 0.9125
85 DGI 0.421488 0.86747
86 CDP 0.421053 0.873418
87 P1G 0.420168 0.841463
88 DGT 0.419355 0.86747
89 DG DC 0.418919 0.892857
90 CSV 0.415385 0.841463
91 CSQ 0.415385 0.841463
92 91P 0.414286 0.951219
93 C5G 0.412698 0.875
94 HF4 0.410256 0.873418
95 CTP 0.410256 0.873418
96 G1R G1R 0.409396 0.891566
97 7XL 0.408333 0.851852
98 DGP 0.40678 0.855422
99 DG 0.40678 0.855422
100 PGD O 0.406667 0.865169
101 GGM 0.405594 0.870588
102 IDP 0.404959 0.911392
103 CDM 0.404762 0.811765
104 APC G U 0.40411 0.855422
105 A U C C 0.4 0.91358
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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