Receptor
PDB id Resolution Class Description Source Keywords
1qhc 1.7 Å EC: 3.1.27.5 CRYSTAL STRUCTURE OF RIBONUCLEASE A IN COMPLEX WITH 5'- PHOSPHO-2'-DEOXYURIDINE-3'-PYROPHOSPHATE ADENOSINE-3'- P HOSPHATE BOS TAURUS HYDROLASE RIBONUCLEASE ENDONUCLEASE NUCLEOTIDE INHIBITOR
Ref.: TOWARD RATIONAL DESIGN OF RIBONUCLEASE INHIBITORS: HIGH-RESOLUTION CRYSTAL STRUCTURE OF A RIBONUCLEASE A COMPLEX WITH A POTENT 3',5'-PYROPHOSPHATE-LINKED DINUCLEOTIDE INHIBITOR. BIOCHEMISTRY V. 38 10287 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data Chemaxon Viewer Molecular Weight (Da) Formula SMILES
PUA A:901;
B:902;
Valid;
Valid;
none;
none;
Ki = 27 nM 797.348 C19 H27 N7 O20 P4 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U1B 2 Å EC: 3.1.27.5 STRUCTURE OF BOVINE PANCREATIC RIBONUCLEASE A IN COMPLEX WITH 3'-PHOSPHOTHYMIDINE (3'-5')-PYROPHOSPHATE ADENOSINE 3 '-PHOSPHATE BOS TAURUS HYDROLASE RIBONUCLEASE ENDONUCLEASE NUCLEOTIDE INHIBITOR
Ref.: CONSERVATION OF MUS-MS ENZYME MOTIONS IN THE APO-AND SUBSTRATE-MIMICKED STATE. J.AM.CHEM.SOC. V. 127 9167 2005
Members (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1Z6D Ki = 4.6 mM IMP C10 H13 N4 O8 P [P+](OCC1O....
2 1O0H Ki = 1.2 uM ADP C10 H15 N5 O10 P2 [P+](O[P+]....
3 1W4O Ki = 5.85 uM UA3 C9 H13 N2 O9 P C1=CN(C(=O....
4 1RNN - C5P C9 H14 N3 O8 P [P+](OCC1O....
5 1JVU - C2P C9 H14 N3 O8 P C1=CN(C(=O....
6 3D7B Ki = 203 uM U4S C13 H19 N3 O5 C1CCN(C1)C....
7 3FL1 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
8 2XOG Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
9 3D6Q Ki = 172 uM U3S C14 H21 N3 O5 C1CCN(CC1)....
10 3JW1 - U5P C9 H13 N2 O9 P [P+](OCC1O....
11 3EV6 - RSF C6 H10 O3 C1CO[C@H]2....
12 2W5I Ki = 4.7 uM ATP C10 H16 N5 O13 P3 [P+](O[P+]....
13 3D8Y Ki = 396 uM T3S C15 H23 N3 O4 CC1=CN(C(=....
14 1W4P Ki = 18 uM UM3 C9 H13 N2 O8 P C1[C@@H]([....
15 3D6O Ki = 77 uM U1S C17 H25 N3 O7 CCOC(=O)C1....
16 1AFL Ki = 520 nM ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
17 3EV3 - TBU C4 H10 O CC(C)(C)O
18 3LXO Kd = 15 uM T3P C10 H15 N2 O8 P CC1=CN(C(=....
19 3RID - CGP C19 H25 N8 O10 P c1nc2c(n1[....
20 1O0O Ki = 8 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
21 1RPF - C3P C9 H14 N3 O8 P C1=CN(C(=O....
22 3D6P Ki = 179 uM U2S C13 H19 N3 O6 C1COCCN1C[....
23 1RPG - CPA C19 H25 N8 O9 P c1nc(c2c(n....
24 4G8V Ki = 1.6 uM 0EY C12 H15 N5 O6 c1c(nnn1[C....
25 1RNC - 5GP C10 H14 N5 O8 P [P+](OCC1O....
26 1WBU - WBU C4 H5 N3 O2 C1=C(C(=O)....
27 1ROB - C2P C9 H14 N3 O8 P C1=CN(C(=O....
28 1W4Q Ki = 5.5 uM UMF C9 H12 F N2 O8 P C1=CN(C(=O....
29 4G8Y Ki = 25.8 uM 0FT C13 H17 N5 O6 CC1=CN(C(=....
30 1O0F Ki = 5 uM A3P C10 H15 N5 O10 P2 [P+](OC1C(....
31 1JN4 Ki = 11.3 uM 139 C19 H25 N7 O14 P2 c1nc(c2c(n....
32 1O0N Ki = 82 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
33 3EV4 - ETF C2 H3 F3 O C(C(F)(F)F....
34 1RCA - CGP C19 H25 N8 O10 P c1nc2c(n1[....
35 1AFK Ki = 240 nM PAP C10 H16 N5 O13 P3 [P+](OC1C(....
36 1RND - DGP C10 H14 N5 O7 P c1nc2c(n1[....
37 2XOI Ki = 370 uM SFB C20 H28 N8 O11 S c1nc(c2c(n....
38 1EOW - U2G C19 H24 N7 O13 P c1nc2c(n1[....
39 4RSK Kd = 47.4 uM U3P C9 H13 N2 O9 P C1=CN(C(=O....
40 1RCN - DA DT DA DA n/a n/a
41 1RNM - C5P C9 H14 N3 O8 P [P+](OCC1O....
42 2W5K Ki = 12 uM NDP C21 H30 N7 O17 P3 [P+](O[P+]....
43 2G8R Ki = 103 uM N3E C15 H21 N3 O7 C1CN(CCC1C....
44 1U1B Kd = 16 nM PAX C20 H27 N7 O20 P4 CC1=CN(C(=....
45 1QHC Ki = 27 nM PUA C19 H27 N7 O20 P4 c1nc(c2c(n....
46 3FL0 - CGP C19 H25 N8 O10 P c1nc2c(n1[....
47 1F0V - DC DG n/a n/a
48 2W5L Ki = 63 uM NAP C21 H28 N7 O17 P3 [P+](O[P+]....
49 1RUV - UVC C9 H12 N2 O9 V C1=CN(C(=O....
50 1O0M Ki = 7.1 uM U2P C9 H13 N2 O9 P C1=CN(C(=O....
51 2QCA - DGP C10 H14 N5 O7 P c1nc2c(n1[....
52 1Z6S Ki = 63 uM AMP C10 H14 N5 O7 P [P+](OCC1O....
53 3EV5 - TMO C3 H9 N O C[N+](C)(C....
54 4G90 Ki = 30.8 uM 0G0 C12 H14 F N5 O6 c1c(nnn1[C....
55 2W5G Ki = 0.86 uM ATP C10 H16 N5 O13 P3 [P+](O[P+]....
56 3D8Z Ki = 423 uM TXS C14 H21 N3 O4 CC1=CN(C(=....
57 1EOS - U2G C19 H24 N7 O13 P c1nc2c(n1[....