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...
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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 218 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 176 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: 106
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 GKE 0.584746 0.95
18 GDD 0.584746 0.95
19 GDC 0.584746 0.95
20 GNP 0.580357 0.91358
21 A G C C 0.575758 0.95
22 GAV 0.570175 0.902439
23 G2R 0.568965 0.902439
24 G G G C 0.568182 0.950617
25 GP2 0.563636 0.902439
26 G C C C 0.558824 0.9625
27 GKD 0.552846 0.95
28 G2P 0.552632 0.902439
29 6CK 0.54918 0.903614
30 G G 0.546219 0.901235
31 UPA 0.543307 0.925
32 G4P 0.543103 0.924051
33 GDR 0.540984 0.925926
34 GFB 0.540984 0.925926
35 GTG 0.540984 0.903614
36 JB2 0.540323 0.925926
37 GDP MG 0.539823 0.86747
38 0O2 0.537815 0.924051
39 YGP 0.53719 0.915663
40 G3A 0.536585 0.9375
41 GDP BEF 0.535088 0.847059
42 ALF 5GP 0.535088 0.837209
43 Y9Z 0.532787 0.872093
44 G5P 0.532258 0.9375
45 GMP 0.529412 0.848101
46 G3D 0.525862 0.924051
47 GDX 0.52381 0.9375
48 GPD 0.52381 0.892857
49 NGD 0.523077 0.925926
50 BEF GDP 0.521368 0.837209
51 GTP MG 0.521368 0.86747
52 ZGP 0.519084 0.840909
53 UCG 0.517986 0.95
54 GCP G 0.516949 0.878049
55 JB3 0.515385 0.914634
56 CGP 0.515152 0.927711
57 2GP 0.513761 0.924051
58 FEG 0.51145 0.850575
59 TPG 0.510791 0.855556
60 GDP AF3 0.508333 0.837209
61 GDP ALF 0.508333 0.837209
62 OMC OMU OMG OMG U 0.506757 0.904762
63 U G A 0.5 0.950617
64 3GP 0.5 0.911392
65 C2P 0.490385 0.860759
66 FE9 0.489209 0.791667
67 G A A A 0.485294 0.91358
68 GDP 7MG 0.484375 0.879518
69 U A G G 0.481752 0.901235
70 CAG 0.478261 0.852273
71 MGD 0.478261 0.905882
72 2MD 0.477941 0.905882
73 PGD 0.475177 0.915663
74 DBG 0.468531 0.914634
75 MD1 0.464789 0.905882
76 A G U 0.463576 0.950617
77 G U34 0.463235 0.950617
78 DC DG 0.456522 0.904762
79 I2C FE2 CMO CMO 0.453901 0.824176
80 G1G 0.450704 0.892857
81 GPX 0.44 0.8875
82 G4M 0.437909 0.873563
83 P2G 0.42735 0.851852
84 G G U 0.425373 0.901235
85 BGO 0.42446 0.891566
86 GH3 0.424 0.9125
87 DGI 0.421488 0.86747
88 CDP 0.421053 0.873418
89 P1G 0.420168 0.841463
90 DGT 0.419355 0.86747
91 DG DC 0.418919 0.892857
92 CSQ 0.415385 0.841463
93 CSV 0.415385 0.841463
94 91P 0.414286 0.951219
95 C5G 0.412698 0.875
96 CTP 0.410256 0.873418
97 G1R G1R 0.409396 0.891566
98 7XL 0.408333 0.851852
99 DGP 0.40678 0.855422
100 DG 0.40678 0.855422
101 PGD O 0.406667 0.865169
102 GGM 0.405594 0.870588
103 IDP 0.404959 0.911392
104 CDM 0.404762 0.811765
105 APC G U 0.40411 0.855422
106 A U C C 0.4 0.91358
Similar Binding Sites (Proteins are less than 50% similar to leader)
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