Receptor
PDB id Resolution Class Description Source Keywords
1RTF 2.3 Å EC: 3.4.21.68 COMPLEX OF BENZAMIDINE WITH THE CATALYTIC DOMAIN OF HUMAN TWO CHAIN TISSUE PLASMINOGEN ACTIVATOR [(TC)-T-PA] HOMO SAPIENS SERINE PROTEASE FIBRINOLYTIC ENZYMES
Ref.: THE 2.3 A CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF RECOMBINANT TWO-CHAIN HUMAN TISSUE-TYPE PLASMINOGEN ACTIVATOR J.MOL.BIOL. V. 258 117 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEN B:245;
Valid;
none;
submit data
120.152 C7 H8 N2 [H]/N...
PO4 B:1;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RTF 2.3 Å EC: 3.4.21.68 COMPLEX OF BENZAMIDINE WITH THE CATALYTIC DOMAIN OF HUMAN TWO CHAIN TISSUE PLASMINOGEN ACTIVATOR [(TC)-T-PA] HOMO SAPIENS SERINE PROTEASE FIBRINOLYTIC ENZYMES
Ref.: THE 2.3 A CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF RECOMBINANT TWO-CHAIN HUMAN TISSUE-TYPE PLASMINOGEN ACTIVATOR J.MOL.BIOL. V. 258 117 1996
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1RTF - BEN C7 H8 N2 [H]/N=C(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1RTF - BEN C7 H8 N2 [H]/N=C(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1RTF - BEN C7 H8 N2 [H]/N=C(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BEN; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 BEN 1 1
2 BAM 0.52 0.941176
3 NTN 0.481481 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RTF; Ligand: BEN; Similar sites found: 59
This union binding pocket(no: 1) in the query (biounit: 1rtf.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1VLH PNS 0.0125 0.41829 1.7341
2 3HNB 768 0.0004001 0.42833 1.88679
3 1WG8 SAM 0.02883 0.4065 2.38095
4 3UYK 0CX 0.01287 0.43789 2.77778
5 5E72 SAM 0.02569 0.40603 2.77778
6 2G7C GLA GAL NAG 0.01679 0.40002 2.77778
7 3NOJ PYR 0.008993 0.40917 2.94118
8 1PJS NAD 0.02139 0.40357 3.1746
9 4MCC 21X 0.01087 0.42911 3.25203
10 1KSH GDP 0.02613 0.40203 3.28947
11 2POC UD1 0.002671 0.41561 3.96825
12 2OUA AES 0.0002218 0.47356 4.25532
13 3DDN HPV 0.02486 0.41105 4.36508
14 4F0E 0RU 0.01168 0.40484 4.5
15 1U9Q 186 0.02356 0.40251 4.65116
16 1P9P SAH 0.01559 0.41651 4.7619
17 3P7G MAN 0.00666 0.41928 4.79452
18 3P8N L4T 0.03498 0.40105 4.83871
19 3C1O NAP 0.02447 0.41009 5.55556
20 1I1N SAH 0.03897 0.40304 5.75221
21 1UI0 URA 0.01309 0.40192 6.82927
22 3OII SAH 0.01301 0.4186 7.14286
23 4SGA ACE PRO ALA PRO PHE 0.0007146 0.41894 7.18232
24 1RP0 AHZ 0.03238 0.41182 7.53968
25 1SZ2 BGC 0.00643 0.40525 7.93651
26 4CO3 ATP 0.02867 0.41112 8.03571
27 2XYA 7L4 0.0001099 0.4956 8.79121
28 3A0T ADP 0.019 0.40897 10.5263
29 1HPG BOC ALA ALA PRO GLU 0.001603 0.40847 17.4603
30 1OSS BEN 0.00000000001261 0.80468 40.3587
31 5A8Y VBM 0.000003586 0.46209 40.8257
32 1RIW OSC 0.000000000001904 0.93571 44.2177
33 1BHX R56 0.000000000003226 0.66413 44.2177
34 5L2Z 70C 0.000000001507 0.81773 46.0317
35 1YGC 905 0.0000000005498 0.57263 46.0317
36 2EC9 24X 0.0000000009772 0.5112 46.0317
37 2B7D C1B 0.0000000001053 0.46989 46.0317
38 1PQ7 ARG 0.00000000008709 0.63853 46.4286
39 4BTI 7R9 0.00000000003215 0.86898 47.619
40 1NFU RRP 0.00000000000267 0.73894 47.619
41 2VH6 GSV 0.00000000003422 0.57436 47.619
42 1TMT DPN PRO ARG 0.000000000002167 0.92799 48.0159
43 1SL3 170 0.00000000001108 0.90271 48.0159
44 1O0D 163 0.0000000000009055 0.67794 48.0159
45 2FEQ 34P 0.000000000002226 0.66833 48.0159
46 2FES 3SP 0.000000000002588 0.66665 48.0159
47 1NZQ 162 0.000000000002654 0.66652 48.0159
48 2ANK N12 0.000000000001621 0.65122 48.0159
49 2A2X NA9 0.000000000001797 0.65022 48.0159
50 3VXE DPN PRO ARG 0.000000000001039 0.63638 48.0159
51 1C4V IH2 0.00000000001318 0.62996 48.0159
52 2CN0 F25 0.0000000001861 0.62938 48.0159
53 1OYT FSN 0.000000001443 0.61494 48.0159
54 1D3D BZT 0.0000000003036 0.5665 48.0159
55 2ANM CDO 0.000000000004652 0.56268 48.0159
56 1D9I 00P 0.0000000001225 0.53686 48.0159
57 1EB1 ZAL PRO MMO 0.0000000001026 0.48976 48.0159
58 3UTU 1TS 0.0000000000099 0.47792 48.0159
59 4NFE BEN 0.00000000119 0.74573 49.3671
60 1O5E 132 0.00000000001212 0.87521 50
61 1ETS MID 0.00000000002218 0.60828 50
62 1UTJ ABN 0.0000000001217 0.56707 50
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