Receptor
PDB id Resolution Class Description Source Keywords
3CCB 2.49 Å EC: 3.4.14.5 CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A BENZIMIDAZ DERIVATIVE HOMO SAPIENS STRUCTURE-BASED DESIGN DENZIMIDAZOLE DERIVATIVES PEPTIDASEAMINOPEPTIDASE GLYCOPROTEIN HYDROLASE MEMBRANE PROTEASESECRETED SERINE PROTEASE SIGNAL-ANCHOR TRANSMEMBRANE
Ref.: STRUCTURE-BASED DESIGN AND SYNTHESIS OF BENZIMIDAZO DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS. BIOORG.MED.CHEM.LETT. V. 18 2362 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B2Y A:800;
B:800;
C:800;
D:800;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 ic50 = 30 uM
183.249 C13 H13 N c1ccc...
NAG A:801;
A:802;
A:803;
A:808;
B:801;
B:802;
B:803;
B:806;
C:801;
C:802;
D:801;
D:804;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG H:1;
F:1;
E:1;
G:1;
I:1;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
 submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RWQ 2.2 Å EC: 3.4.14.5 HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH 5-AMINOMETHYL- DICHLORO-PHENYL)-2-(3,5-DIMETHOXY-PHENYL)-PYRIMIDIN-4-YLAMI HOMO SAPIENS DIPEPTIDYL PEPTIDASE IV EXOPEPTIDASE ADENOSINE BINDING DRDESIGN COMPLEX STRUCTURE HYDROLASE
Ref.: AMINOMETHYLPYRIMIDINES AS NOVEL DPP-IV INHIBITORS: 10(5)-FOLD ACTIVITY INCREASE BY OPTIMIZATION OF ARO SUBSTITUENTS BIOORG.MED.CHEM.LETT. V. 14 1491 2004
Members (48)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3SWW Ki = 4 nM KXB C18 H19 Cl2 N3 O2 Cc1c(c(c2c....
2 1X70 ic50 = 18 nM 715 C16 H15 F6 N5 O c1c(c(cc(c....
3 1WCY - ILE PRO ILE n/a n/a
4 3NOX Ki = 2.2 nM 6A5 C19 H19 Cl2 N5 O2 Cc1c(c(n2c....
5 2QOE ic50 = 25 nM 448 C17 H17 F6 N5 O C[C@@H]1c2....
6 3C45 ic50 = 0.00021 uM 317 C21 H25 Cl F N3 O3 S CS(=O)(=O)....
7 3F8S ic50 = 12.9 nM PF2 C17 H24 F2 N6 O c1cnc(nc1)....
8 2IIV ic50 = 6.6 nM 565 C16 H20 F3 N3 O2 C[C@@H]1C(....
9 3VJK ic50 = 0.37 nM M51 C22 H30 N6 O S Cc1cc(n(n1....
10 2HHA ic50 = 0.122 uM 3TP C17 H22 N4 O4 S C[C@H](c1n....
11 2P8S ic50 = 21 nM 417 C18 H19 F6 N5 c1c(c(cc(c....
12 3G0B ic50 = 0.007 uM T22 C18 H21 N5 O2 CN1C(=O)C=....
13 2FJP ic50 = 4.3 nM S14 C22 H25 F N6 O2 CN(C)C(=O)....
14 2OPH ic50 = 0.016 uM 277 C17 H30 F N3 O2 C[C@@H](C1....
15 3VJL ic50 = 5.6 nM W94 C23 H28 F3 N5 O S c1ccc(cc1)....
16 2QJR ic50 = 6.4 nM PZF C20 H18 F3 N5 O COc1ccc(cn....
17 3G0G ic50 = 0.005 uM RUM C17 H18 Br N5 O c1ccc(c(c1....
18 3CCB ic50 = 30 uM B2Y C13 H13 N c1ccc(cc1)....
19 3VJM ic50 = 0.37 nM W61 C22 H26 F3 N5 O S c1ccc2c(c1....
20 5T4E ic50 = 4376 nM 75L C27 H31 N9 O CC#CCn1c2c....
21 4N8E ic50 = 0.02 uM 2KV C18 H25 Cl N2 O c1cc(cc(c1....
22 3KWF ic50 = 6.8 nM B1Q C20 H28 F N3 O3 COc1cc2c(c....
23 4LKO Ki = 8.3 nM 1WH C18 H19 Cl2 N3 O2 Cc1c(c(c2c....
24 5KBY Ki = 1.5 nM 6RL C18 H20 F N5 O2 CN1C(=O)C=....
25 3G0D ic50 ~ 5 nM XIH C20 H23 N7 O2 CN1c2c(n(c....
26 2IIT ic50 = 2.6 nM 872 C17 H19 F6 N3 O2 c1c(c(cc(c....
27 3HAB ic50 = 0.0042 uM 677 C18 H16 F3 N3 O2 S CS(=O)(=O)....
28 4N8D ic50 = 11.9 uM 2KS C22 H27 N O c1ccc(cc1)....
29 3D4L ic50 = 32 nM 605 C21 H18 F2 N2 O c1cc(cc(c1....
30 4JH0 Ki = 0.94 nM 1MD C19 H20 Cl2 N4 O2 Cc1c(c(c2c....
31 2QTB ic50 = 4.8 nM 474 C22 H30 F2 N6 O2 CN(C)C(=O)....
32 2OGZ ic50 = 84 nM U1N C19 H21 F N2 O2 C[C@H](CCc....
33 1R9N - TYR PRO SER LYS PRO ASP ASN PRO GLY GLU n/a n/a
34 4A5S ic50 = 17 nM N7F C29 H27 N7 O c1ccc(cc1)....
35 4PNZ - 2VH C17 H19 F3 N4 O3 S CS(=O)(=O)....
36 2OLE Ki = 56.2 nM KR2 C22 H24 F3 N3 O2 c1ccc(cc1)....
37 2OAG Ki = 3.4 nM DLI C21 H19 F3 N4 O2 S CS(=O)(=O)....
38 1RWQ ic50 = 0.0001 uM 5AP C19 H18 Cl2 N4 O2 COc1cc(cc(....
39 2QT9 ic50 = 0.0023 uM 524 C22 H31 F N6 O2 CN(C)C(=O)....
40 5T4F ic50 = 10 nM 75M C24 H24 N8 O CC#CCn1c2c....
41 3C43 ic50 = 0.019 uM 315 C20 H28 F2 N4 O4 S CS(=O)(=O)....
42 5T4B ic50 = 0.42 nM 75N C26 H27 N9 O CC#CCn1c2c....
43 5I7U ic50 = 1.7 nM 6AJ C21 H21 F N8 O2 CN1C(=O)CN....
44 3HAC ic50 = 0.0083 uM 361 C16 H13 F3 N4 c1cncc2c1n....
45 3EIO ic50 = 223 nM AJH C23 H24 F3 N3 O4 c1cc(ccc1C....
46 1N1M Ki = 2 uM A3M C9 H18 N2 O CC(C)[C@@H....
47 5ISM ic50 = 0.7 nM 6DG C19 H19 F2 N5 O c1cnc2c3c(....
48 2BGR Ki = 250 uM MET ASP PRO VAL ASP PRO ASN ILE GLU n/a n/a
70% Homology Family (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3SWW Ki = 4 nM KXB C18 H19 Cl2 N3 O2 Cc1c(c(c2c....
2 1X70 ic50 = 18 nM 715 C16 H15 F6 N5 O c1c(c(cc(c....
3 1WCY - ILE PRO ILE n/a n/a
4 3NOX Ki = 2.2 nM 6A5 C19 H19 Cl2 N5 O2 Cc1c(c(n2c....
5 2QOE ic50 = 25 nM 448 C17 H17 F6 N5 O C[C@@H]1c2....
6 3C45 ic50 = 0.00021 uM 317 C21 H25 Cl F N3 O3 S CS(=O)(=O)....
7 3F8S ic50 = 12.9 nM PF2 C17 H24 F2 N6 O c1cnc(nc1)....
8 2IIV ic50 = 6.6 nM 565 C16 H20 F3 N3 O2 C[C@@H]1C(....
9 3VJK ic50 = 0.37 nM M51 C22 H30 N6 O S Cc1cc(n(n1....
10 2HHA ic50 = 0.122 uM 3TP C17 H22 N4 O4 S C[C@H](c1n....
11 2P8S ic50 = 21 nM 417 C18 H19 F6 N5 c1c(c(cc(c....
12 3G0B ic50 = 0.007 uM T22 C18 H21 N5 O2 CN1C(=O)C=....
13 2FJP ic50 = 4.3 nM S14 C22 H25 F N6 O2 CN(C)C(=O)....
14 2OPH ic50 = 0.016 uM 277 C17 H30 F N3 O2 C[C@@H](C1....
15 3VJL ic50 = 5.6 nM W94 C23 H28 F3 N5 O S c1ccc(cc1)....
16 2QJR ic50 = 6.4 nM PZF C20 H18 F3 N5 O COc1ccc(cn....
17 3G0G ic50 = 0.005 uM RUM C17 H18 Br N5 O c1ccc(c(c1....
18 3CCB ic50 = 30 uM B2Y C13 H13 N c1ccc(cc1)....
19 3VJM ic50 = 0.37 nM W61 C22 H26 F3 N5 O S c1ccc2c(c1....
20 5T4E ic50 = 4376 nM 75L C27 H31 N9 O CC#CCn1c2c....
21 4N8E ic50 = 0.02 uM 2KV C18 H25 Cl N2 O c1cc(cc(c1....
22 3KWF ic50 = 6.8 nM B1Q C20 H28 F N3 O3 COc1cc2c(c....
23 4LKO Ki = 8.3 nM 1WH C18 H19 Cl2 N3 O2 Cc1c(c(c2c....
24 5KBY Ki = 1.5 nM 6RL C18 H20 F N5 O2 CN1C(=O)C=....
25 3G0D ic50 ~ 5 nM XIH C20 H23 N7 O2 CN1c2c(n(c....
26 2IIT ic50 = 2.6 nM 872 C17 H19 F6 N3 O2 c1c(c(cc(c....
27 3HAB ic50 = 0.0042 uM 677 C18 H16 F3 N3 O2 S CS(=O)(=O)....
28 4N8D ic50 = 11.9 uM 2KS C22 H27 N O c1ccc(cc1)....
29 3D4L ic50 = 32 nM 605 C21 H18 F2 N2 O c1cc(cc(c1....
30 4JH0 Ki = 0.94 nM 1MD C19 H20 Cl2 N4 O2 Cc1c(c(c2c....
31 2QTB ic50 = 4.8 nM 474 C22 H30 F2 N6 O2 CN(C)C(=O)....
32 2OGZ ic50 = 84 nM U1N C19 H21 F N2 O2 C[C@H](CCc....
33 1R9N - TYR PRO SER LYS PRO ASP ASN PRO GLY GLU n/a n/a
34 4A5S ic50 = 17 nM N7F C29 H27 N7 O c1ccc(cc1)....
35 4PNZ - 2VH C17 H19 F3 N4 O3 S CS(=O)(=O)....
36 2OLE Ki = 56.2 nM KR2 C22 H24 F3 N3 O2 c1ccc(cc1)....
37 2OAG Ki = 3.4 nM DLI C21 H19 F3 N4 O2 S CS(=O)(=O)....
38 1RWQ ic50 = 0.0001 uM 5AP C19 H18 Cl2 N4 O2 COc1cc(cc(....
39 2QT9 ic50 = 0.0023 uM 524 C22 H31 F N6 O2 CN(C)C(=O)....
40 5T4F ic50 = 10 nM 75M C24 H24 N8 O CC#CCn1c2c....
41 3C43 ic50 = 0.019 uM 315 C20 H28 F2 N4 O4 S CS(=O)(=O)....
42 5T4B ic50 = 0.42 nM 75N C26 H27 N9 O CC#CCn1c2c....
43 5I7U ic50 = 1.7 nM 6AJ C21 H21 F N8 O2 CN1C(=O)CN....
44 3HAC ic50 = 0.0083 uM 361 C16 H13 F3 N4 c1cncc2c1n....
45 3EIO ic50 = 223 nM AJH C23 H24 F3 N3 O4 c1cc(ccc1C....
46 1N1M Ki = 2 uM A3M C9 H18 N2 O CC(C)[C@@H....
47 5ISM ic50 = 0.7 nM 6DG C19 H19 F2 N5 O c1cnc2c3c(....
48 2BGR Ki = 250 uM MET ASP PRO VAL ASP PRO ASN ILE GLU n/a n/a
49 2AJ8 Ki = 638 nM SC3 C18 H23 N6 O2 CN1c2c(n(c....
50 5LLS - 6Z8 C19 H23 Br N6 O2 CN1c2c(n(c....
51 2BUC ic50 = 23 nM 008 C20 H22 F N3 O2 c1ccc2c(c1....
50% Homology Family (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3SWW Ki = 4 nM KXB C18 H19 Cl2 N3 O2 Cc1c(c(c2c....
2 1X70 ic50 = 18 nM 715 C16 H15 F6 N5 O c1c(c(cc(c....
3 1WCY - ILE PRO ILE n/a n/a
4 3NOX Ki = 2.2 nM 6A5 C19 H19 Cl2 N5 O2 Cc1c(c(n2c....
5 2QOE ic50 = 25 nM 448 C17 H17 F6 N5 O C[C@@H]1c2....
6 3C45 ic50 = 0.00021 uM 317 C21 H25 Cl F N3 O3 S CS(=O)(=O)....
7 3F8S ic50 = 12.9 nM PF2 C17 H24 F2 N6 O c1cnc(nc1)....
8 2IIV ic50 = 6.6 nM 565 C16 H20 F3 N3 O2 C[C@@H]1C(....
9 3VJK ic50 = 0.37 nM M51 C22 H30 N6 O S Cc1cc(n(n1....
10 2HHA ic50 = 0.122 uM 3TP C17 H22 N4 O4 S C[C@H](c1n....
11 2P8S ic50 = 21 nM 417 C18 H19 F6 N5 c1c(c(cc(c....
12 3G0B ic50 = 0.007 uM T22 C18 H21 N5 O2 CN1C(=O)C=....
13 2FJP ic50 = 4.3 nM S14 C22 H25 F N6 O2 CN(C)C(=O)....
14 2OPH ic50 = 0.016 uM 277 C17 H30 F N3 O2 C[C@@H](C1....
15 3VJL ic50 = 5.6 nM W94 C23 H28 F3 N5 O S c1ccc(cc1)....
16 2QJR ic50 = 6.4 nM PZF C20 H18 F3 N5 O COc1ccc(cn....
17 3G0G ic50 = 0.005 uM RUM C17 H18 Br N5 O c1ccc(c(c1....
18 3CCB ic50 = 30 uM B2Y C13 H13 N c1ccc(cc1)....
19 3VJM ic50 = 0.37 nM W61 C22 H26 F3 N5 O S c1ccc2c(c1....
20 5T4E ic50 = 4376 nM 75L C27 H31 N9 O CC#CCn1c2c....
21 4N8E ic50 = 0.02 uM 2KV C18 H25 Cl N2 O c1cc(cc(c1....
22 3KWF ic50 = 6.8 nM B1Q C20 H28 F N3 O3 COc1cc2c(c....
23 4LKO Ki = 8.3 nM 1WH C18 H19 Cl2 N3 O2 Cc1c(c(c2c....
24 5KBY Ki = 1.5 nM 6RL C18 H20 F N5 O2 CN1C(=O)C=....
25 3G0D ic50 ~ 5 nM XIH C20 H23 N7 O2 CN1c2c(n(c....
26 2IIT ic50 = 2.6 nM 872 C17 H19 F6 N3 O2 c1c(c(cc(c....
27 3HAB ic50 = 0.0042 uM 677 C18 H16 F3 N3 O2 S CS(=O)(=O)....
28 4N8D ic50 = 11.9 uM 2KS C22 H27 N O c1ccc(cc1)....
29 3D4L ic50 = 32 nM 605 C21 H18 F2 N2 O c1cc(cc(c1....
30 4JH0 Ki = 0.94 nM 1MD C19 H20 Cl2 N4 O2 Cc1c(c(c2c....
31 2QTB ic50 = 4.8 nM 474 C22 H30 F2 N6 O2 CN(C)C(=O)....
32 2OGZ ic50 = 84 nM U1N C19 H21 F N2 O2 C[C@H](CCc....
33 1R9N - TYR PRO SER LYS PRO ASP ASN PRO GLY GLU n/a n/a
34 4A5S ic50 = 17 nM N7F C29 H27 N7 O c1ccc(cc1)....
35 4PNZ - 2VH C17 H19 F3 N4 O3 S CS(=O)(=O)....
36 2OLE Ki = 56.2 nM KR2 C22 H24 F3 N3 O2 c1ccc(cc1)....
37 2OAG Ki = 3.4 nM DLI C21 H19 F3 N4 O2 S CS(=O)(=O)....
38 1RWQ ic50 = 0.0001 uM 5AP C19 H18 Cl2 N4 O2 COc1cc(cc(....
39 2QT9 ic50 = 0.0023 uM 524 C22 H31 F N6 O2 CN(C)C(=O)....
40 5T4F ic50 = 10 nM 75M C24 H24 N8 O CC#CCn1c2c....
41 3C43 ic50 = 0.019 uM 315 C20 H28 F2 N4 O4 S CS(=O)(=O)....
42 5T4B ic50 = 0.42 nM 75N C26 H27 N9 O CC#CCn1c2c....
43 5I7U ic50 = 1.7 nM 6AJ C21 H21 F N8 O2 CN1C(=O)CN....
44 3HAC ic50 = 0.0083 uM 361 C16 H13 F3 N4 c1cncc2c1n....
45 3EIO ic50 = 223 nM AJH C23 H24 F3 N3 O4 c1cc(ccc1C....
46 1N1M Ki = 2 uM A3M C9 H18 N2 O CC(C)[C@@H....
47 5ISM ic50 = 0.7 nM 6DG C19 H19 F2 N5 O c1cnc2c3c(....
48 2BGR Ki = 250 uM MET ASP PRO VAL ASP PRO ASN ILE GLU n/a n/a
49 2AJ8 Ki = 638 nM SC3 C18 H23 N6 O2 CN1c2c(n(c....
50 5LLS - 6Z8 C19 H23 Br N6 O2 CN1c2c(n(c....
51 2BUC ic50 = 23 nM 008 C20 H22 F N3 O2 c1ccc2c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: B2Y; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 B2Y 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: B2Y; Similar ligands found: 339
No: Ligand Similarity coefficient
1 MPK 0.9772
2 49O 0.9758
3 BPS 0.9698
4 Z5P 0.9693
5 JRB 0.9693
6 BCK 0.9680
7 61O 0.9661
8 F69 0.9632
9 CH9 0.9621
10 DC5 0.9599
11 SV4 0.9542
12 BPY 0.9538
13 WOE 0.9521
14 A9O 0.9477
15 OBP 0.9469
16 89J 0.9446
17 TT4 0.9437
18 N2Z 0.9431
19 J9Q 0.9425
20 1WC 0.9415
21 49N 0.9414
22 T2D 0.9410
23 6HX 0.9405
24 46P 0.9405
25 1A7 0.9401
26 SQP 0.9386
27 MOK 0.9373
28 NCT 0.9370
29 JF6 0.9364
30 LT8 0.9356
31 A9P 0.9353
32 CK2 0.9344
33 1XA 0.9344
34 CK1 0.9333
35 52C 0.9330
36 CP7 0.9320
37 60Q 0.9319
38 L13 0.9319
39 0F9 0.9298
40 BP3 0.9291
41 2F6 0.9289
42 HNH 0.9287
43 HNK 0.9271
44 N3W 0.9268
45 F16 0.9268
46 6J9 0.9267
47 HNL 0.9260
48 GVG 0.9253
49 S0G 0.9246
50 B4O 0.9242
51 N8Z 0.9236
52 A7K 0.9233
53 AVI 0.9223
54 CLU 0.9199
55 92K 0.9194
56 977 0.9188
57 KTJ 0.9182
58 CP6 0.9170
59 6XI 0.9157
60 XDK 0.9156
61 AM1 0.9156
62 1FF 0.9153
63 RUY 0.9152
64 M5E 0.9136
65 DNB 0.9128
66 BP6 0.9119
67 BNL 0.9117
68 U2Z 0.9103
69 W29 0.9102
70 BY5 0.9096
71 9UL 0.9095
72 7QS 0.9095
73 50C 0.9092
74 FTV 0.9091
75 1Z6 0.9085
76 AVJ 0.9082
77 PRZ 0.9077
78 PIR 0.9073
79 MSR 0.9069
80 3B4 0.9067
81 K80 0.9063
82 GTC 0.9062
83 AOT 0.9058
84 7Q1 0.9045
85 MIL 0.9040
86 791 0.9038
87 ACE PHE 0.9038
88 92P 0.9034
89 M4B 0.9031
90 1CY 0.9029
91 4PN 0.9029
92 HJH 0.9027
93 56D 0.9024
94 97T 0.9020
95 ODO 0.9019
96 256 0.9015
97 S2T 0.9015
98 PIM 0.9014
99 2AL 0.9014
100 A1Y 0.9013
101 DPN 0.9010
102 54E 0.9010
103 2B4 0.9004
104 HFA 0.8998
105 X48 0.8998
106 NZ2 0.8993
107 S2P 0.8990
108 AMQ 0.8982
109 CPZ 0.8976
110 A4Q 0.8973
111 R9S 0.8959
112 A4N 0.8956
113 HX4 0.8955
114 SHI 0.8954
115 ASC 0.8950
116 7UZ 0.8947
117 CIT 0.8946
118 AMR 0.8944
119 0A9 0.8943
120 0OL 0.8943
121 P7Y 0.8942
122 NZ3 0.8937
123 HIS 0.8926
124 S7B 0.8920
125 DDU 0.8919
126 B2T 0.8918
127 HHT 0.8916
128 TB8 0.8916
129 6W6 0.8915
130 512 0.8914
131 FWD 0.8913
132 JTH 0.8910
133 505 0.8910
134 QIC 0.8907
135 BZS 0.8906
136 2FY 0.8902
137 A4T 0.8902
138 F06 0.8902
139 293 0.8901
140 GZQ 0.8900
141 OQC 0.8900
142 AVO 0.8896
143 NIG 0.8892
144 6NI 0.8889
145 M3E 0.8888
146 3IL 0.8885
147 TSR 0.8885
148 SQ7 0.8884
149 TZF 0.8880
150 IAC 0.8880
151 SQ4 0.8874
152 22L 0.8872
153 TIH 0.8871
154 9X5 0.8862
155 PHE 0.8858
156 BZE 0.8857
157 787 0.8857
158 NLA 0.8857
159 42R 0.8856
160 EAJ 0.8856
161 2CZ 0.8855
162 1F1 0.8850
163 8GK 0.8849
164 AU8 0.8849
165 RME 0.8847
166 0QW 0.8843
167 K7M 0.8842
168 NVU 0.8841
169 C1M 0.8840
170 DQA 0.8840
171 FMQ 0.8840
172 NFA 0.8838
173 AKD 0.8835
174 5NI 0.8834
175 NAG 0.8833
176 091 0.8832
177 X6P 0.8830
178 6HO 0.8829
179 2CL 0.8829
180 CFA 0.8827
181 LNR 0.8821
182 4LV 0.8820
183 YZM 0.8819
184 3VW 0.8816
185 4ME 0.8816
186 F5F 0.8816
187 PH3 0.8814
188 TRP 0.8810
189 S3C 0.8808
190 SLY 0.8804
191 DHZ 0.8803
192 0JD 0.8803
193 QMS 0.8801
194 GFE 0.8800
195 THU 0.8799
196 N1E 0.8797
197 8OZ 0.8793
198 S3B 0.8792
199 2JM 0.8791
200 I59 0.8788
201 92G 0.8788
202 IOS 0.8787
203 CC5 0.8785
204 JZA 0.8783
205 PLP 0.8781
206 BP7 0.8775
207 C2M 0.8774
208 HA5 0.8769
209 OMD 0.8765
210 3C4 0.8765
211 AX3 0.8764
212 GBN 0.8760
213 SAF 0.8760
214 MMS 0.8759
215 BRH 0.8755
216 FA3 0.8754
217 KYN 0.8753
218 PMP 0.8753
219 GCO 0.8748
220 6DP 0.8748
221 AIN 0.8746
222 9FH 0.8746
223 NCD 0.8745
224 AWE 0.8745
225 PTU 0.8741
226 9FG 0.8737
227 DHY 0.8737
228 8CB 0.8731
229 FA6 0.8730
230 SBK 0.8723
231 FLC 0.8722
232 CH8 0.8721
233 57O 0.8721
234 9SE 0.8720
235 2KU 0.8719
236 DCZ 0.8718
237 DTR 0.8717
238 2O6 0.8716
239 9KH 0.8713
240 MQB 0.8712
241 M3Q 0.8709
242 9BF 0.8709
243 9W5 0.8708
244 A9K 0.8701
245 MEX 0.8699
246 SLC 0.8696
247 6VD 0.8695
248 R2P 0.8690
249 6TZ 0.8690
250 FHC 0.8687
251 TSS 0.8686
252 THM 0.8685
253 APG 0.8680
254 MNP 0.8679
255 A8Q 0.8679
256 PPY 0.8677
257 HIC 0.8677
258 FPL 0.8676
259 4XV 0.8673
260 5AD 0.8673
261 URI 0.8671
262 I5A 0.8671
263 AVA 0.8670
264 67Y 0.8669
265 MJ5 0.8667
266 KDO 0.8666
267 F4K 0.8666
268 Q06 0.8664
269 ICB 0.8658
270 CTN 0.8658
271 T9G 0.8657
272 QM1 0.8657
273 MAJ 0.8655
274 AKG 0.8655
275 F52 0.8654
276 A4B 0.8653
277 4BF 0.8649
278 LAO 0.8648
279 AUT 0.8638
280 4NC 0.8638
281 HVJ 0.8637
282 5AE 0.8634
283 ZOL 0.8634
284 5ZZ 0.8634
285 RIS 0.8632
286 HL4 0.8627
287 5F5 0.8626
288 0GY 0.8626
289 1KN 0.8625
290 KYA 0.8625
291 069 0.8622
292 8XL 0.8620
293 DUR 0.8618
294 41K 0.8613
295 CTS 0.8613
296 5NS 0.8612
297 KMY 0.8611
298 3NY 0.8609
299 PO6 0.8603
300 NGA 0.8602
301 SDF 0.8601
302 9PY 0.8600
303 6ZX 0.8600
304 0DN 0.8600
305 ZZI 0.8596
306 NBG 0.8594
307 BDP 0.8592
308 BGC 0.8591
309 A6H 0.8590
310 9H2 0.8587
311 7CT 0.8584
312 GL7 0.8583
313 HHH 0.8583
314 ICT 0.8581
315 EXD 0.8579
316 TYL 0.8578
317 GC2 0.8578
318 6J5 0.8577
319 NIY 0.8576
320 SRO 0.8573
321 B86 0.8571
322 4XS 0.8570
323 16Z 0.8569
324 GDL 0.8568
325 GL2 0.8566
326 5BT 0.8566
327 2GD 0.8565
328 6NT 0.8562
329 HDH 0.8560
330 TYR 0.8559
331 PXP 0.8557
332 PFF 0.8554
333 I1E 0.8545
334 MP5 0.8539
335 AOS 0.8539
336 HJ8 0.8537
337 NV1 0.8537
338 DHK 0.8517
339 FP1 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RWQ; Ligand: 5AP; 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: 1rwq.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1RWQ; Ligand: 5AP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1rwq.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
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