Receptor
PDB id Resolution Class Description Source Keywords
1N1M 2.5 Å EC: 3.4.14.5 HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 IN COMPLEX WITH AN INHIBI HOMO SAPIENS ALPHA/BETA BETA-PROPELLER DIMER HYDROLASE
Ref.: CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV/ COMPLEX WITH A SUBSTRATE ANALOGUE NAT.STRUCT.BIOL. V. 10 19 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A3M A:954;
B:955;
Valid;
Valid;
none;
none;
Ki = 2 uM
170.252 C9 H18 N2 O CC(C)...
NAG A:782;
B:769;
B:780;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG FUC I:1;
Part of Protein;
none;
submit data
367.351 n/a O=C(N...
NAG NAG J:1;
H:1;
G:1;
E:1;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
408.404 n/a O=C(N...
NAG NAG BMA K:1;
L:1;
Part of Protein;
Part of Protein;
none;
none;
submit data
570.545 n/a O=C(N...
NAG NDG FUC C:1;
Part of Protein;
none;
submit data
n/a n/a
NAG NDG MAN F:1;
Part of Protein;
none;
submit data
n/a n/a
NAG NAG FUC D:1;
Part of Protein;
none;
submit data
n/a n/a
NAG NDG M:1;
Part of Protein;
none;
submit data
n/a n/a
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: A3M; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 A3M 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: A3M; Similar ligands found: 435
No: Ligand Similarity coefficient
1 P58 0.9488
2 HIS 0.9412
3 1L5 0.9398
4 HF2 0.9380
5 DPN 0.9380
6 AKG 0.9374
7 PHE 0.9362
8 E1P 0.9355
9 GLR 0.9285
10 K7M 0.9284
11 0QW 0.9278
12 6FZ 0.9278
13 2FY 0.9264
14 HHH 0.9251
15 Q9Z 0.9247
16 LFC 0.9243
17 DHI 0.9242
18 1BN 0.9233
19 11C 0.9230
20 GZQ 0.9227
21 56D 0.9224
22 REL 0.9216
23 R9M 0.9215
24 M5E 0.9211
25 8OZ 0.9203
26 152 0.9200
27 PPY 0.9200
28 SOL 0.9197
29 8EW 0.9190
30 LPK 0.9189
31 NVU 0.9188
32 2C2 0.9180
33 DIR 0.9178
34 GLU 0.9177
35 SAF 0.9175
36 3CR 0.9166
37 NCT 0.9165
38 TAG 0.9163
39 2IT 0.9159
40 3LR 0.9156
41 J0Z 0.9152
42 0LH 0.9152
43 FIX 0.9145
44 SOR 0.9144
45 FK8 0.9144
46 9RH 0.9143
47 C5A 0.9131
48 GLO 0.9131
49 B09 0.9130
50 CXP 0.9129
51 HQJ 0.9129
52 CS2 0.9128
53 SMN 0.9128
54 PO6 0.9125
55 0OC 0.9118
56 B3U 0.9117
57 AOS 0.9114
58 TYR 0.9113
59 61M 0.9109
60 RAT 0.9105
61 EN1 0.9105
62 KDG 0.9103
63 PSJ 0.9102
64 JZA 0.9101
65 92K 0.9099
66 BCU 0.9098
67 ICB 0.9097
68 Q02 0.9095
69 S2G 0.9095
70 M6H 0.9092
71 R20 0.9092
72 JF6 0.9086
73 FOC 0.9085
74 HCI 0.9085
75 JB8 0.9083
76 HHI 0.9082
77 S8V 0.9077
78 3QM 0.9077
79 3BU 0.9077
80 PBA 0.9073
81 GLN 0.9071
82 LLH 0.9071
83 RUY 0.9068
84 TPO 0.9067
85 3VW 0.9062
86 3PG 0.9060
87 GVG 0.9057
88 RBL 0.9056
89 QDK 0.9053
90 173 0.9053
91 XIZ 0.9048
92 TSS 0.9048
93 DAL DAL 0.9047
94 3QO 0.9047
95 IAC 0.9046
96 DHY 0.9045
97 M74 0.9043
98 R2P 0.9043
99 9ON 0.9036
100 N9J 0.9035
101 O45 0.9031
102 4PN 0.9030
103 GCO 0.9030
104 L5V 0.9029
105 3HG 0.9027
106 FUD 0.9024
107 AHN 0.9023
108 GGL 0.9023
109 HGA 0.9023
110 A09 0.9019
111 CCB 0.9018
112 XUL 0.9013
113 B85 0.9011
114 GRO 0.9007
115 RB5 0.9005
116 XYL 0.9005
117 8GL 0.9001
118 ONL 0.9000
119 ICT 0.8998
120 F4E 0.8998
121 RMN 0.8997
122 DYT 0.8994
123 4HP 0.8994
124 I38 0.8994
125 IOP 0.8993
126 OGA 0.8991
127 JDN 0.8990
128 DER 0.8988
129 3YP 0.8986
130 0JD 0.8984
131 DGL 0.8982
132 52C 0.8981
133 54F 0.8980
134 9RW 0.8980
135 NFA 0.8979
136 A29 0.8978
137 7QS 0.8978
138 TZM 0.8978
139 2UB 0.8977
140 3C4 0.8976
141 OOG 0.8975
142 PAC 0.8975
143 HIC 0.8971
144 DGN 0.8966
145 SDD 0.8962
146 TLM 0.8961
147 GUA 0.8960
148 CMS 0.8958
149 TT4 0.8957
150 PIM 0.8957
151 S2P 0.8954
152 HNL 0.8949
153 40F 0.8949
154 HNK 0.8949
155 NCD 0.8949
156 MES 0.8948
157 RNS 0.8946
158 ISZ 0.8946
159 SYG 0.8946
160 7VP 0.8945
161 15N 0.8942
162 IOS 0.8940
163 NIZ 0.8940
164 FF3 0.8939
165 KMH 0.8937
166 0OL 0.8936
167 AOT 0.8936
168 HFA 0.8934
169 1WC 0.8933
170 BNF 0.8933
171 9BF 0.8928
172 SSC 0.8927
173 BNL 0.8927
174 LYS 0.8926
175 J9Q 0.8926
176 069 0.8925
177 MTL 0.8924
178 HDH 0.8921
179 GJZ 0.8920
180 7Q1 0.8918
181 SRO 0.8914
182 LMR 0.8914
183 ALE 0.8914
184 XYH 0.8911
185 XDK 0.8911
186 2FT 0.8909
187 LNR 0.8907
188 2TQ 0.8905
189 MPV 0.8904
190 4VY 0.8904
191 M45 0.8904
192 RLG 0.8900
193 CFI 0.8899
194 HSO 0.8898
195 MNN 0.8897
196 RM1 0.8896
197 2AL 0.8894
198 SRT 0.8894
199 GPF 0.8892
200 GOJ 0.8891
201 ASP 0.8891
202 ZXD 0.8890
203 HX4 0.8890
204 PJW 0.8889
205 49F 0.8889
206 7UC 0.8889
207 SHI 0.8888
208 LL2 0.8888
209 RNT 0.8885
210 9YT 0.8884
211 EDR 0.8882
212 5FX 0.8882
213 Q03 0.8881
214 I1E 0.8881
215 BHO 0.8880
216 DTY 0.8877
217 MD0 0.8877
218 L99 0.8876
219 MXN 0.8875
220 LNO 0.8874
221 9R5 0.8874
222 2BX 0.8872
223 DE5 0.8872
224 ALA PRO 0.8871
225 TIH 0.8869
226 HBU 0.8867
227 F98 0.8867
228 23J 0.8866
229 FOM 0.8864
230 PTU 0.8864
231 ATX 0.8864
232 PUE 0.8864
233 CH8 0.8861
234 268 0.8861
235 JRB 0.8861
236 4FA 0.8860
237 N6C 0.8860
238 46P 0.8860
239 5XB 0.8857
240 4TB 0.8856
241 A5P 0.8855
242 MJ5 0.8852
243 DE3 0.8851
244 1VK 0.8851
245 9W5 0.8849
246 FPL 0.8848
247 PRA 0.8846
248 APG 0.8845
249 N4B 0.8841
250 SME 0.8841
251 HX8 0.8840
252 HYA 0.8839
253 ROR 0.8837
254 SYM 0.8837
255 QY9 0.8836
256 2D8 0.8835
257 E4P 0.8835
258 4LW 0.8835
259 258 0.8833
260 PDC 0.8833
261 97T 0.8829
262 ISD 0.8827
263 ONR 0.8826
264 XI7 0.8820
265 ENO 0.8818
266 SD4 0.8818
267 8XL 0.8817
268 13P 0.8817
269 PBN 0.8815
270 C2Y 0.8815
271 S7A 0.8813
272 DEW 0.8813
273 TRP 0.8812
274 XRX 0.8812
275 GVM 0.8811
276 263 0.8809
277 2HG 0.8808
278 HPV 0.8807
279 OSE 0.8807
280 92P 0.8807
281 DHC 0.8806
282 PRO GLY 0.8804
283 1DJ 0.8802
284 HPP 0.8799
285 SEP 0.8799
286 CFA 0.8798
287 YZM 0.8797
288 J9N 0.8797
289 DZA 0.8796
290 AHC 0.8796
291 LEU 0.8796
292 MLT 0.8796
293 3SL 0.8795
294 G3H 0.8792
295 OTR 0.8791
296 AEG 0.8790
297 APS 0.8788
298 7MW 0.8788
299 LUQ 0.8786
300 ODO 0.8786
301 LDP 0.8785
302 NFM 0.8784
303 6TZ 0.8783
304 ARG 0.8781
305 SYC 0.8778
306 PPT 0.8777
307 2F6 0.8776
308 FHC 0.8772
309 KTA 0.8771
310 B40 0.8770
311 DXG 0.8769
312 1X4 0.8769
313 NM3 0.8769
314 KTJ 0.8766
315 6HO 0.8766
316 DLT 0.8764
317 TZL 0.8761
318 PMF 0.8760
319 HA5 0.8759
320 0A9 0.8759
321 TAR 0.8758
322 8SZ 0.8756
323 41K 0.8756
324 MEQ 0.8755
325 GNW 0.8755
326 HNH 0.8755
327 XEN 0.8754
328 CLU 0.8754
329 DII 0.8750
330 YPN 0.8749
331 QUS 0.8746
332 MAH 0.8742
333 HL4 0.8741
334 1A7 0.8736
335 ISA 0.8736
336 11X 0.8735
337 9SE 0.8734
338 MS9 0.8732
339 YRL 0.8732
340 PH3 0.8726
341 IXW 0.8726
342 AL0 0.8726
343 1Z6 0.8725
344 PIY 0.8724
345 FEH 0.8723
346 RJY 0.8723
347 K6H 0.8723
348 I2E 0.8722
349 MEV 0.8721
350 S24 0.8720
351 F9P 0.8719
352 C82 0.8718
353 5HY 0.8718
354 JYD 0.8717
355 3AL 0.8717
356 SHA 0.8714
357 FLC 0.8713
358 TYE 0.8712
359 AT3 0.8712
360 264 0.8710
361 GPJ 0.8710
362 2AS 0.8709
363 MHO 0.8708
364 AG2 0.8707
365 XBT 0.8707
366 3S5 0.8706
367 MR1 0.8705
368 NBB 0.8699
369 7UZ 0.8699
370 BRH 0.8698
371 M44 0.8697
372 URP 0.8694
373 G3P 0.8691
374 B41 0.8691
375 OKG 0.8685
376 EHM 0.8684
377 42J 0.8684
378 CCE 0.8681
379 ORN 0.8677
380 NNH 0.8671
381 GZ2 0.8669
382 BHU 0.8669
383 Q07 0.8669
384 P7Y 0.8666
385 L13 0.8665
386 MUC 0.8663
387 AVI 0.8662
388 87L 0.8662
389 AMQ 0.8657
390 ALA ALA 0.8657
391 CH9 0.8654
392 4OG 0.8652
393 1GP 0.8651
394 269 0.8651
395 FBM 0.8650
396 9UL 0.8650
397 GLY GLY 0.8647
398 92G 0.8646
399 NAG 0.8645
400 D3G 0.8645
401 GP9 0.8645
402 Q06 0.8635
403 1AL 0.8631
404 XLS 0.8630
405 S0F 0.8628
406 AEF 0.8627
407 4FP 0.8625
408 HXY 0.8623
409 TMG 0.8620
410 1XA 0.8608
411 SV4 0.8607
412 URO 0.8606
413 2LY 0.8604
414 HIO 0.8601
415 2HC 0.8599
416 XQI 0.8590
417 BPY 0.8587
418 4A5 0.8583
419 GLY ALA 0.8580
420 GGB 0.8580
421 RES 0.8579
422 1FD 0.8579
423 8U3 0.8578
424 KJM 0.8572
425 R1P 0.8568
426 NOK 0.8564
427 8G0 0.8561
428 NLE 0.8560
429 2RH 0.8556
430 VXX 0.8550
431 PFF 0.8535
432 IP8 0.8535
433 DEE 0.8530
434 TL6 0.8522
435 5RP 0.8511
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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