Receptor
PDB id Resolution Class Description Source Keywords
3I7Z 2.3 Å EC: 3.1.3.48 PROTEIN TYROSINE PHOSPHATASE 1B - TRANSITION STATE ANALOG FO FIRST CATALYTIC STEP HOMO SAPIENS HYDROLASE P-LOOP WPD-LOOP PROTEIN PHOSPHATASE EGFR RECEPVANADATE ACETYLATION ENDOPLASMIC RETICULUM MEMBRANE OXIPHOSPHOPROTEIN POLYMORPHISM
Ref.: INSIGHTS INTO THE REACTION OF PROTEIN-TYROSINE PHOS 1B: CRYSTAL STRUCTURES FOR TRANSITION STATE ANALOGS CATALYTIC STEPS. J.BIOL.CHEM. V. 285 15874 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP ALA ASP GLU TYR LEU B:988;
Valid;
none;
submit data
721.697 n/a O=C([...
GOL A:324;
A:325;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
TRS A:323;
B:323;
Invalid;
Invalid;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
VO4 A:322;
Invalid;
none;
submit data
114.939 O4 V [O-][...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CNE 1.8 Å EC: 3.1.3.48 STRUCTURAL INSIGHTS INTO THE DESIGN OF NONPEPTIDIC ISOTHIAZO CONTAINING INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B HOMO SAPIENS POLYMORPHISM PHOSPHORYLATION PROTEIN PHOSPHATASE ENDOPLASRETICULUM OXIDATION HYDROLASE ACETYLATION PHOSPHATASE
Ref.: STRUCTURAL INSIGHTS INTO THE DESIGN OF NONPEPTIDIC ISOTHIAZOLIDINONE-CONTAINING INHIBITORS OF PROTEIN-PHOSPHATASE 1B. J.BIOL.CHEM. V. 281 38013 2006
Members (95)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 1L8G - DBD C18 H14 N2 O9 S2 c1ccc2c(c1....
2 2CNI ic50 = 21 nM IZF C31 H34 Cl N3 O10 S2 COC(=O)c1c....
3 2F6Y ic50 = 134.8 uM ENT C16 H23 N3 O6 S CC(C)(C)OC....
4 2F6T Ki = 24 uM 1C2 C16 H23 N3 O6 S CC(C)(C)OC....
5 1NL9 - 989 C29 H31 N3 O7 CCCCCNC(=O....
6 2CM7 ic50 = 210 nM IZD C23 H26 N4 O6 S CC(=O)N[C@....
7 1C83 Ki = 14 uM OAI C11 H8 N2 O5 c1c[nH]c2c....
8 2AZR Ki = 230 uM 982 C10 H7 N O5 S c1cc2c(c(s....
9 1PH0 - 418 C34 H35 N3 O12 COC(=O)c1c....
10 1Q6N ic50 = 0.023 uM P90 C31 H25 F2 N4 O3 P S c1ccc(cc1)....
11 1Q6S ic50 = 12 nM 214 C38 H32 F2 N4 O6 P2 Cc1ccc2cc(....
12 1KAK ic50 = 26 uM FNP C12 H10 F4 O6 P2 c1cc(cc2c1....
13 2HB1 Ki = 160 uM 512 C7 H5 Br O5 S c1c(c(c(s1....
14 1PTV - PTR C9 H12 N O6 P c1cc(ccc1C....
15 1BZH Ki = 0.17 uM ASP ALA ASP GLU FLT LEU AEA n/a n/a
16 2CNE ic50 = 1.7 nM DFJ C28 H29 F4 N3 O9 P2 c1ccc(cc1)....
17 1XBO Ki = 6.9 uM IX1 C22 H19 N O8 COC(=O)c1c....
18 2F6Z ic50 = 4.8 uM UN5 C20 H24 N4 O8 S2 CNC(=O)[C@....
19 2CMA ic50 = 185 nM F20 C28 H28 N4 O6 S c1ccc(cc1)....
20 1PTY - PTR C9 H12 N O6 P c1cc(ccc1C....
21 1C88 Ki = 5.1 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
22 1ECV Ki = 14 uM 878 C9 H6 I N O5 c1cc(c(cc1....
23 2F6V ic50 = 37 uM SK2 C19 H21 N3 O6 S CNC(=O)[C@....
24 2CNF ic50 = 240 nM F32 C25 H21 N5 O3 S2 c1ccc2c(c1....
25 1ONZ - 968 C19 H13 N O6 c1ccc(c(c1....
26 2QBS Ki = 0.21 uM 024 C19 H20 Br N O5 S c1cc(cc(c1....
27 2VEV ic50 = 1300 nM IZ2 C28 H25 F3 N4 O5 S2 c1ccc(cc1)....
28 4Y14 Ki = 40 nM C0A C12 H16 Br F2 N2 O6 P S CNC(=O)[C@....
29 1ONY - 588 C27 H32 N4 O9 S CCCCCNC(=O....
30 1NNY - 515 C40 H37 N3 O10 CC(=O)N[C@....
31 2ZN7 Kd = 13 nM 410 C26 H24 Br N O6 S c1ccc(cc1)....
32 2VEU ic50 = 2900 nM IZ1 C27 H23 F3 N4 O5 S2 c1ccc(cc1)....
33 1JF7 - TBH C31 H47 N3 O9 CCCCCN[C@@....
34 5KAD Kd = 37 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
35 5KA3 Kd = 26 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
36 3EAX Ki = 12 uM LZP C38 H34 N2 O8 c1ccc(cc1)....
37 1QXK Ki ~ 9 uM 429 C25 H30 N2 O10 CC(=O)N[C@....
38 2QBR Ki = 0.47 uM 910 C20 H16 Br N O5 S c1ccc(cc1)....
39 1T48 ic50 = 350 uM BB3 C19 H17 Br2 N O5 S CCc1c(c2cc....
40 1PYN Ki = 3.2 uM 941 C29 H36 N2 O12 CC(C)(C)OC....
41 2FJN ic50 = 39 nM 073 C32 H28 F2 N3 O5 P COC(=O)c1c....
42 2F71 ic50 = 2.5 uM UN7 C21 H23 N3 O7 S CNC(=O)[C@....
43 1Q6P ic50 = 3 nM 213 C34 H29 F2 N3 O6 P2 c1ccc(cc1)....
44 1WAX ic50 = 86 uM LO1 C9 H10 N2 O3 c1cc(ccc1C....
45 2CNH ic50 = 59 nM IZB C27 H27 N5 O6 S2 CN1CCOc2c1....
46 1Q6T ic50 = 7 nM 600 C43 H42 F2 N4 O7 P2 CC(C)C[C@@....
47 2VEX ic50 = 130 nM IZ4 C28 H29 F N4 O5 S2 c1ccc(cc1)....
48 1Q6J ic50 = 0.016 uM 335 C29 H25 F4 N3 O6 P2 c1ccc(cc1)....
49 3EB1 Ki = 16 uM LZQ C24 H21 N O4 c1ccc(cc1)....
50 1G7F Ki = 3.4 uM INZ C27 H33 N3 O9 CCCCCNC(=O....
51 2ZMM Ki = 25 nM 35B C21 H23 Br N2 O6 S CNC(=O)N(c....
52 1AAX - BPM C13 H14 O8 P2 c1cc(ccc1C....
53 1BZC Ki = 12 uM TPI C17 H17 F2 N2 O7 P c1cc(cc2c1....
54 2QBQ Ki = 0.036 uM 4B3 C23 H28 Br N O5 S CC1(CC(CC(....
55 5K9W Kd = 26 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
56 6B8Z - FRJ C26 H19 Br2 N3 O7 S3 CCc1c(c2cc....
57 2CMC ic50 = 1750 nM DFM C21 H24 F2 N3 O6 P CC(=O)N[C@....
58 2CMB ic50 = 65 nM F17 C32 H29 N5 O9 S2 c1ccc(cc1)....
59 2F70 ic50 = 33.5 uM UN6 C16 H19 N3 O7 S2 c1cc(cc(c1....
60 1KAV Ki = 1.5 uM FEP C18 H20 F4 O6 P2 c1cc(ccc1C....
61 2NT7 Ki = 0.3 uM 902 C25 H25 Br N6 O5 S2 c1ccc(cc1)....
62 1C87 Ki = 63 uM OPA C10 H9 N O6 S C1COCc2c1c....
63 5KAB - OTA C10 H10 N2 O5 S C1CNCc2c1c....
64 2H4K Ki = 3.2 uM 509 C13 H9 Br O5 S c1ccc(cc1)....
65 1G7G Ki = 0.25 uM INX C30 H37 N3 O10 CCCCCNC(=O....
66 5T19 - 73U C16 H17 N3 O3 S Cc1ccc(cc1....
67 1C86 Ki = 20 uM OPA C10 H9 N O6 S C1COCc2c1c....
68 2H4G Ki = 0.3 uM 694 C13 H9 Br O6 S c1cc(ccc1c....
69 5KA1 Kd = 33 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
70 2BGE ic50 = 1608 uM T2D C8 H8 N2 O3 S c1ccc(cc1)....
71 1PXH - SNA C32 H41 F4 N5 O13 P2 S c1cc(ccc1C....
72 2QBP Ki = 0.004 uM 527 C25 H25 Br N2 O7 S2 c1ccc(cc1)....
73 1Q6M ic50 = 0.013 uM P27 C29 H23 F6 N3 O6 P2 c1ccc2c(c1....
74 2VEW ic50 = 64 nM IZ3 C27 H22 F2 N4 O5 S2 c1ccc(c(c1....
75 2B07 Ki = 0.37 uM 598 C25 H24 N2 O7 S3 c1ccc(cc1)....
76 3I7Z - ASP ALA ASP GLU TYR LEU n/a n/a
77 1EEN - ALA ASP PBF PTR LEU ILE PRO n/a n/a
78 1LQF - BGD C32 H34 F4 N4 O12 P2 c1ccc(cc1)....
79 2BGD ic50 = 2.47 uM T1D C15 H14 N2 O4 S COc1ccc(cc....
80 1T49 ic50 = 22 uM 892 C23 H18 Br2 N2 O7 S2 CCc1c(c2cc....
81 2NTA Ki = 16 uM 521 C12 H9 Cl N2 O3 S2 c1ccc(cc1)....
82 1NWL - 964 C19 H27 N5 O5 S2 CC(=O)NCCS....
83 2VEY ic50 = 43 nM IZ5 C29 H29 F N4 O5 S2 c1ccc(cc1)....
84 5KA7 Kd = 45 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
85 2FJM ic50 = 142 nM 073 C32 H28 F2 N3 O5 P COC(=O)c1c....
86 1GFY - COL C10 H9 N O5 S2 C1CSCc2c1c....
87 1NZ7 - 901 C32 H40 N4 O10 S CCc1cc(ccc....
88 3CWE ic50 = 0.12 uM 825 C22 H18 Br F2 O4 P c1ccc(cc1)....
89 2CNG ic50 = 110 nM IZE C21 H16 F6 N4 O4 S c1cc(ccc1C....
90 2CM8 ic50 = 1350 nM F16 C9 H7 N O4 S c1cc(cc(c1....
91 1BZJ Ki = 22 uM PIC C12 H9 F2 O5 P c1cc(cc2c1....
92 2F6W - UN3 C10 H11 N3 O3 S Cn1c(cc(n1....
93 1NO6 - 794 C19 H13 N O5 c1ccc2c(c1....
94 1C84 Ki = 9.9 uM 761 C13 H9 N O5 c1ccc2cc(c....
95 5KA9 Kd = 39 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
70% Homology Family (95)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 1L8G - DBD C18 H14 N2 O9 S2 c1ccc2c(c1....
2 2CNI ic50 = 21 nM IZF C31 H34 Cl N3 O10 S2 COC(=O)c1c....
3 2F6Y ic50 = 134.8 uM ENT C16 H23 N3 O6 S CC(C)(C)OC....
4 2F6T Ki = 24 uM 1C2 C16 H23 N3 O6 S CC(C)(C)OC....
5 1NL9 - 989 C29 H31 N3 O7 CCCCCNC(=O....
6 2CM7 ic50 = 210 nM IZD C23 H26 N4 O6 S CC(=O)N[C@....
7 1C83 Ki = 14 uM OAI C11 H8 N2 O5 c1c[nH]c2c....
8 2AZR Ki = 230 uM 982 C10 H7 N O5 S c1cc2c(c(s....
9 1PH0 - 418 C34 H35 N3 O12 COC(=O)c1c....
10 1Q6N ic50 = 0.023 uM P90 C31 H25 F2 N4 O3 P S c1ccc(cc1)....
11 1Q6S ic50 = 12 nM 214 C38 H32 F2 N4 O6 P2 Cc1ccc2cc(....
12 1KAK ic50 = 26 uM FNP C12 H10 F4 O6 P2 c1cc(cc2c1....
13 2HB1 Ki = 160 uM 512 C7 H5 Br O5 S c1c(c(c(s1....
14 1PTV - PTR C9 H12 N O6 P c1cc(ccc1C....
15 1BZH Ki = 0.17 uM ASP ALA ASP GLU FLT LEU AEA n/a n/a
16 2CNE ic50 = 1.7 nM DFJ C28 H29 F4 N3 O9 P2 c1ccc(cc1)....
17 1XBO Ki = 6.9 uM IX1 C22 H19 N O8 COC(=O)c1c....
18 2F6Z ic50 = 4.8 uM UN5 C20 H24 N4 O8 S2 CNC(=O)[C@....
19 2CMA ic50 = 185 nM F20 C28 H28 N4 O6 S c1ccc(cc1)....
20 1PTY - PTR C9 H12 N O6 P c1cc(ccc1C....
21 1C88 Ki = 5.1 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
22 1ECV Ki = 14 uM 878 C9 H6 I N O5 c1cc(c(cc1....
23 2F6V ic50 = 37 uM SK2 C19 H21 N3 O6 S CNC(=O)[C@....
24 2CNF ic50 = 240 nM F32 C25 H21 N5 O3 S2 c1ccc2c(c1....
25 1ONZ - 968 C19 H13 N O6 c1ccc(c(c1....
26 2QBS Ki = 0.21 uM 024 C19 H20 Br N O5 S c1cc(cc(c1....
27 2VEV ic50 = 1300 nM IZ2 C28 H25 F3 N4 O5 S2 c1ccc(cc1)....
28 4Y14 Ki = 40 nM C0A C12 H16 Br F2 N2 O6 P S CNC(=O)[C@....
29 1ONY - 588 C27 H32 N4 O9 S CCCCCNC(=O....
30 1NNY - 515 C40 H37 N3 O10 CC(=O)N[C@....
31 2ZN7 Kd = 13 nM 410 C26 H24 Br N O6 S c1ccc(cc1)....
32 2VEU ic50 = 2900 nM IZ1 C27 H23 F3 N4 O5 S2 c1ccc(cc1)....
33 1JF7 - TBH C31 H47 N3 O9 CCCCCN[C@@....
34 5KAD Kd = 37 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
35 5KA3 Kd = 26 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
36 3EAX Ki = 12 uM LZP C38 H34 N2 O8 c1ccc(cc1)....
37 1QXK Ki ~ 9 uM 429 C25 H30 N2 O10 CC(=O)N[C@....
38 2QBR Ki = 0.47 uM 910 C20 H16 Br N O5 S c1ccc(cc1)....
39 1T48 ic50 = 350 uM BB3 C19 H17 Br2 N O5 S CCc1c(c2cc....
40 1PYN Ki = 3.2 uM 941 C29 H36 N2 O12 CC(C)(C)OC....
41 2FJN ic50 = 39 nM 073 C32 H28 F2 N3 O5 P COC(=O)c1c....
42 2F71 ic50 = 2.5 uM UN7 C21 H23 N3 O7 S CNC(=O)[C@....
43 1Q6P ic50 = 3 nM 213 C34 H29 F2 N3 O6 P2 c1ccc(cc1)....
44 1WAX ic50 = 86 uM LO1 C9 H10 N2 O3 c1cc(ccc1C....
45 2CNH ic50 = 59 nM IZB C27 H27 N5 O6 S2 CN1CCOc2c1....
46 1Q6T ic50 = 7 nM 600 C43 H42 F2 N4 O7 P2 CC(C)C[C@@....
47 2VEX ic50 = 130 nM IZ4 C28 H29 F N4 O5 S2 c1ccc(cc1)....
48 1Q6J ic50 = 0.016 uM 335 C29 H25 F4 N3 O6 P2 c1ccc(cc1)....
49 3EB1 Ki = 16 uM LZQ C24 H21 N O4 c1ccc(cc1)....
50 1G7F Ki = 3.4 uM INZ C27 H33 N3 O9 CCCCCNC(=O....
51 2ZMM Ki = 25 nM 35B C21 H23 Br N2 O6 S CNC(=O)N(c....
52 1AAX - BPM C13 H14 O8 P2 c1cc(ccc1C....
53 1BZC Ki = 12 uM TPI C17 H17 F2 N2 O7 P c1cc(cc2c1....
54 2QBQ Ki = 0.036 uM 4B3 C23 H28 Br N O5 S CC1(CC(CC(....
55 5K9W Kd = 26 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
56 6B8Z - FRJ C26 H19 Br2 N3 O7 S3 CCc1c(c2cc....
57 2CMC ic50 = 1750 nM DFM C21 H24 F2 N3 O6 P CC(=O)N[C@....
58 2CMB ic50 = 65 nM F17 C32 H29 N5 O9 S2 c1ccc(cc1)....
59 2F70 ic50 = 33.5 uM UN6 C16 H19 N3 O7 S2 c1cc(cc(c1....
60 1KAV Ki = 1.5 uM FEP C18 H20 F4 O6 P2 c1cc(ccc1C....
61 2NT7 Ki = 0.3 uM 902 C25 H25 Br N6 O5 S2 c1ccc(cc1)....
62 1C87 Ki = 63 uM OPA C10 H9 N O6 S C1COCc2c1c....
63 5KAB - OTA C10 H10 N2 O5 S C1CNCc2c1c....
64 2H4K Ki = 3.2 uM 509 C13 H9 Br O5 S c1ccc(cc1)....
65 1G7G Ki = 0.25 uM INX C30 H37 N3 O10 CCCCCNC(=O....
66 5T19 - 73U C16 H17 N3 O3 S Cc1ccc(cc1....
67 1C86 Ki = 20 uM OPA C10 H9 N O6 S C1COCc2c1c....
68 2H4G Ki = 0.3 uM 694 C13 H9 Br O6 S c1cc(ccc1c....
69 5KA1 Kd = 33 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
70 2BGE ic50 = 1608 uM T2D C8 H8 N2 O3 S c1ccc(cc1)....
71 1PXH - SNA C32 H41 F4 N5 O13 P2 S c1cc(ccc1C....
72 2QBP Ki = 0.004 uM 527 C25 H25 Br N2 O7 S2 c1ccc(cc1)....
73 1Q6M ic50 = 0.013 uM P27 C29 H23 F6 N3 O6 P2 c1ccc2c(c1....
74 2VEW ic50 = 64 nM IZ3 C27 H22 F2 N4 O5 S2 c1ccc(c(c1....
75 2B07 Ki = 0.37 uM 598 C25 H24 N2 O7 S3 c1ccc(cc1)....
76 3I7Z - ASP ALA ASP GLU TYR LEU n/a n/a
77 1EEN - ALA ASP PBF PTR LEU ILE PRO n/a n/a
78 1LQF - BGD C32 H34 F4 N4 O12 P2 c1ccc(cc1)....
79 2BGD ic50 = 2.47 uM T1D C15 H14 N2 O4 S COc1ccc(cc....
80 1T49 ic50 = 22 uM 892 C23 H18 Br2 N2 O7 S2 CCc1c(c2cc....
81 2NTA Ki = 16 uM 521 C12 H9 Cl N2 O3 S2 c1ccc(cc1)....
82 1NWL - 964 C19 H27 N5 O5 S2 CC(=O)NCCS....
83 2VEY ic50 = 43 nM IZ5 C29 H29 F N4 O5 S2 c1ccc(cc1)....
84 5KA7 Kd = 45 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
85 2FJM ic50 = 142 nM 073 C32 H28 F2 N3 O5 P COC(=O)c1c....
86 1GFY - COL C10 H9 N O5 S2 C1CSCc2c1c....
87 1NZ7 - 901 C32 H40 N4 O10 S CCc1cc(ccc....
88 3CWE ic50 = 0.12 uM 825 C22 H18 Br F2 O4 P c1ccc(cc1)....
89 2CNG ic50 = 110 nM IZE C21 H16 F6 N4 O4 S c1cc(ccc1C....
90 2CM8 ic50 = 1350 nM F16 C9 H7 N O4 S c1cc(cc(c1....
91 1BZJ Ki = 22 uM PIC C12 H9 F2 O5 P c1cc(cc2c1....
92 2F6W - UN3 C10 H11 N3 O3 S Cn1c(cc(n1....
93 1NO6 - 794 C19 H13 N O5 c1ccc2c(c1....
94 1C84 Ki = 9.9 uM 761 C13 H9 N O5 c1ccc2cc(c....
95 5KA9 Kd = 39 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
50% Homology Family (138)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1L8G - DBD C18 H14 N2 O9 S2 c1ccc2c(c1....
2 2CNI ic50 = 21 nM IZF C31 H34 Cl N3 O10 S2 COC(=O)c1c....
3 2F6Y ic50 = 134.8 uM ENT C16 H23 N3 O6 S CC(C)(C)OC....
4 2F6T Ki = 24 uM 1C2 C16 H23 N3 O6 S CC(C)(C)OC....
5 1NL9 - 989 C29 H31 N3 O7 CCCCCNC(=O....
6 2CM7 ic50 = 210 nM IZD C23 H26 N4 O6 S CC(=O)N[C@....
7 1C83 Ki = 14 uM OAI C11 H8 N2 O5 c1c[nH]c2c....
8 2AZR Ki = 230 uM 982 C10 H7 N O5 S c1cc2c(c(s....
9 1PH0 - 418 C34 H35 N3 O12 COC(=O)c1c....
10 1Q6N ic50 = 0.023 uM P90 C31 H25 F2 N4 O3 P S c1ccc(cc1)....
11 1Q6S ic50 = 12 nM 214 C38 H32 F2 N4 O6 P2 Cc1ccc2cc(....
12 1KAK ic50 = 26 uM FNP C12 H10 F4 O6 P2 c1cc(cc2c1....
13 2HB1 Ki = 160 uM 512 C7 H5 Br O5 S c1c(c(c(s1....
14 1PTV - PTR C9 H12 N O6 P c1cc(ccc1C....
15 1BZH Ki = 0.17 uM ASP ALA ASP GLU FLT LEU AEA n/a n/a
16 2CNE ic50 = 1.7 nM DFJ C28 H29 F4 N3 O9 P2 c1ccc(cc1)....
17 1XBO Ki = 6.9 uM IX1 C22 H19 N O8 COC(=O)c1c....
18 2F6Z ic50 = 4.8 uM UN5 C20 H24 N4 O8 S2 CNC(=O)[C@....
19 2CMA ic50 = 185 nM F20 C28 H28 N4 O6 S c1ccc(cc1)....
20 1PTY - PTR C9 H12 N O6 P c1cc(ccc1C....
21 1C88 Ki = 5.1 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
22 1ECV Ki = 14 uM 878 C9 H6 I N O5 c1cc(c(cc1....
23 2F6V ic50 = 37 uM SK2 C19 H21 N3 O6 S CNC(=O)[C@....
24 2CNF ic50 = 240 nM F32 C25 H21 N5 O3 S2 c1ccc2c(c1....
25 1ONZ - 968 C19 H13 N O6 c1ccc(c(c1....
26 2QBS Ki = 0.21 uM 024 C19 H20 Br N O5 S c1cc(cc(c1....
27 2VEV ic50 = 1300 nM IZ2 C28 H25 F3 N4 O5 S2 c1ccc(cc1)....
28 4Y14 Ki = 40 nM C0A C12 H16 Br F2 N2 O6 P S CNC(=O)[C@....
29 1ONY - 588 C27 H32 N4 O9 S CCCCCNC(=O....
30 1NNY - 515 C40 H37 N3 O10 CC(=O)N[C@....
31 2ZN7 Kd = 13 nM 410 C26 H24 Br N O6 S c1ccc(cc1)....
32 2VEU ic50 = 2900 nM IZ1 C27 H23 F3 N4 O5 S2 c1ccc(cc1)....
33 1JF7 - TBH C31 H47 N3 O9 CCCCCN[C@@....
34 5KAD Kd = 37 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
35 5KA3 Kd = 26 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
36 3EAX Ki = 12 uM LZP C38 H34 N2 O8 c1ccc(cc1)....
37 1QXK Ki ~ 9 uM 429 C25 H30 N2 O10 CC(=O)N[C@....
38 2QBR Ki = 0.47 uM 910 C20 H16 Br N O5 S c1ccc(cc1)....
39 1T48 ic50 = 350 uM BB3 C19 H17 Br2 N O5 S CCc1c(c2cc....
40 1PYN Ki = 3.2 uM 941 C29 H36 N2 O12 CC(C)(C)OC....
41 2FJN ic50 = 39 nM 073 C32 H28 F2 N3 O5 P COC(=O)c1c....
42 2F71 ic50 = 2.5 uM UN7 C21 H23 N3 O7 S CNC(=O)[C@....
43 1Q6P ic50 = 3 nM 213 C34 H29 F2 N3 O6 P2 c1ccc(cc1)....
44 1WAX ic50 = 86 uM LO1 C9 H10 N2 O3 c1cc(ccc1C....
45 2CNH ic50 = 59 nM IZB C27 H27 N5 O6 S2 CN1CCOc2c1....
46 1Q6T ic50 = 7 nM 600 C43 H42 F2 N4 O7 P2 CC(C)C[C@@....
47 2VEX ic50 = 130 nM IZ4 C28 H29 F N4 O5 S2 c1ccc(cc1)....
48 1Q6J ic50 = 0.016 uM 335 C29 H25 F4 N3 O6 P2 c1ccc(cc1)....
49 3EB1 Ki = 16 uM LZQ C24 H21 N O4 c1ccc(cc1)....
50 1G7F Ki = 3.4 uM INZ C27 H33 N3 O9 CCCCCNC(=O....
51 2ZMM Ki = 25 nM 35B C21 H23 Br N2 O6 S CNC(=O)N(c....
52 1AAX - BPM C13 H14 O8 P2 c1cc(ccc1C....
53 1BZC Ki = 12 uM TPI C17 H17 F2 N2 O7 P c1cc(cc2c1....
54 2QBQ Ki = 0.036 uM 4B3 C23 H28 Br N O5 S CC1(CC(CC(....
55 5K9W Kd = 26 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
56 6B8Z - FRJ C26 H19 Br2 N3 O7 S3 CCc1c(c2cc....
57 2CMC ic50 = 1750 nM DFM C21 H24 F2 N3 O6 P CC(=O)N[C@....
58 2CMB ic50 = 65 nM F17 C32 H29 N5 O9 S2 c1ccc(cc1)....
59 2F70 ic50 = 33.5 uM UN6 C16 H19 N3 O7 S2 c1cc(cc(c1....
60 1KAV Ki = 1.5 uM FEP C18 H20 F4 O6 P2 c1cc(ccc1C....
61 2NT7 Ki = 0.3 uM 902 C25 H25 Br N6 O5 S2 c1ccc(cc1)....
62 1C87 Ki = 63 uM OPA C10 H9 N O6 S C1COCc2c1c....
63 5KAB - OTA C10 H10 N2 O5 S C1CNCc2c1c....
64 2H4K Ki = 3.2 uM 509 C13 H9 Br O5 S c1ccc(cc1)....
65 1G7G Ki = 0.25 uM INX C30 H37 N3 O10 CCCCCNC(=O....
66 5T19 - 73U C16 H17 N3 O3 S Cc1ccc(cc1....
67 1C86 Ki = 20 uM OPA C10 H9 N O6 S C1COCc2c1c....
68 2H4G Ki = 0.3 uM 694 C13 H9 Br O6 S c1cc(ccc1c....
69 5KA1 Kd = 33 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
70 2BGE ic50 = 1608 uM T2D C8 H8 N2 O3 S c1ccc(cc1)....
71 1PXH - SNA C32 H41 F4 N5 O13 P2 S c1cc(ccc1C....
72 2QBP Ki = 0.004 uM 527 C25 H25 Br N2 O7 S2 c1ccc(cc1)....
73 1Q6M ic50 = 0.013 uM P27 C29 H23 F6 N3 O6 P2 c1ccc2c(c1....
74 2VEW ic50 = 64 nM IZ3 C27 H22 F2 N4 O5 S2 c1ccc(c(c1....
75 2B07 Ki = 0.37 uM 598 C25 H24 N2 O7 S3 c1ccc(cc1)....
76 3I7Z - ASP ALA ASP GLU TYR LEU n/a n/a
77 1EEN - ALA ASP PBF PTR LEU ILE PRO n/a n/a
78 1LQF - BGD C32 H34 F4 N4 O12 P2 c1ccc(cc1)....
79 2BGD ic50 = 2.47 uM T1D C15 H14 N2 O4 S COc1ccc(cc....
80 1T49 ic50 = 22 uM 892 C23 H18 Br2 N2 O7 S2 CCc1c(c2cc....
81 2NTA Ki = 16 uM 521 C12 H9 Cl N2 O3 S2 c1ccc(cc1)....
82 1NWL - 964 C19 H27 N5 O5 S2 CC(=O)NCCS....
83 2VEY ic50 = 43 nM IZ5 C29 H29 F N4 O5 S2 c1ccc(cc1)....
84 5KA7 Kd = 45 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
85 2FJM ic50 = 142 nM 073 C32 H28 F2 N3 O5 P COC(=O)c1c....
86 1GFY - COL C10 H9 N O5 S2 C1CSCc2c1c....
87 1NZ7 - 901 C32 H40 N4 O10 S CCc1cc(ccc....
88 3CWE ic50 = 0.12 uM 825 C22 H18 Br F2 O4 P c1ccc(cc1)....
89 2CNG ic50 = 110 nM IZE C21 H16 F6 N4 O4 S c1cc(ccc1C....
90 2CM8 ic50 = 1350 nM F16 C9 H7 N O4 S c1cc(cc(c1....
91 1BZJ Ki = 22 uM PIC C12 H9 F2 O5 P c1cc(cc2c1....
92 2F6W - UN3 C10 H11 N3 O3 S Cn1c(cc(n1....
93 1NO6 - 794 C19 H13 N O5 c1ccc2c(c1....
94 1C84 Ki = 9.9 uM 761 C13 H9 N O5 c1ccc2cc(c....
95 5KA9 Kd = 39 uM OTA C10 H10 N2 O5 S C1CNCc2c1c....
96 4GE6 ic50 = 75 nM B26 C42 H45 Br F2 I N6 O11 P Cc1cc(ccc1....
97 4GE5 ic50 = 0.27 uM A89 C30 H31 Br F2 I N4 O7 P Cc1cc(ccc1....
98 4GE2 ic50 = 0.9 uM 75A C24 H28 F2 I N4 O7 P CC(=O)N[C@....
99 3D44 - LEU ASP GLU PTR VAL ALA THR ARG n/a n/a
100 3D42 - LEU THR GLU PTR VAL ALA THR ARG n/a n/a
101 3O5X ic50 = 5.5 uM JZG C33 H27 N5 O4 Cn1c2cc(c(....
102 4RDD ic50 = 16.8 uM 3LU C21 H22 N3 O8 S2 c1ccc(cc1)....
103 4RH5 Kd = 127.3 nM PHE SER ALA PTR PRO SER GLU GLU ASP n/a n/a
104 6BMU - DZV C23 H17 Cl N4 O3 COc1cccc(c....
105 6BMX - DYV C29 H24 Cl N5 O6 COc1cccc(c....
106 6MDD ic50 = 47 uM JE7 C12 H8 Cl2 N4 S c1cc(c(c(c....
107 6BMV - DZS C23 H15 Cl N4 O4 c1ccc(c(c1....
108 6MD9 - JEJ C22 H20 Cl N3 O2 CN1C(=Cc2c....
109 6BN5 - DZJ C17 H11 Cl N2 O2 S c1ccc(cc1)....
110 6BMY - DYV C29 H24 Cl N5 O6 COc1cccc(c....
111 6MDC ic50 = 0.036 uM JEA C23 H29 Cl N8 O2 C[C@H]1[C@....
112 5EHR Kd = 73 nM 5OD C16 H19 Cl2 N5 CC1(CCN(CC....
113 6MD7 ic50 = 0.181 uM JE1 C17 H20 F3 N5 O S CC1(CCN(CC....
114 6BMW - DZS C23 H15 Cl N4 O4 c1ccc(c(c1....
115 6BMR - DZV C23 H17 Cl N4 O3 COc1cccc(c....
116 6CMR - 5OD C16 H19 Cl2 N5 CC1(CCN(CC....
117 6MDA - JED C20 H14 Br N3 O2 Cc1ccc(cc1....
118 6MDB ic50 = 0.064 uM JE4 C18 H20 Cl2 N6 O CC1(CCN(CC....
119 5EHP ic50 = 12 uM 5OA C16 H19 Cl2 N5 C[C@@H]1CN....
120 3QCH ic50 = 3.3 uM NX2 C13 H11 Cl2 N O3 S3 CS(=O)(=O)....
121 3QCI ic50 = 3.8 uM NX3 C18 H14 Cl2 N2 O3 S3 c1cc(cc(c1....
122 3QCJ ic50 = 0.5 uM NX4 C20 H15 Cl2 N O6 S3 COc1ccc(cc....
123 3QCL ic50 = 4 uM NXV C18 H14 Cl2 O3 S c1cc(c(cc1....
124 3QCE ic50 = 6.6 uM NXY C12 H8 Cl2 O2 S2 c1cc(c(cc1....
125 3QCM - NXW C27 H25 Cl2 N3 O3 S CNCCNCC(=O....
126 3QCF ic50 = 6.6 uM NXY C12 H8 Cl2 O2 S2 c1cc(c(cc1....
127 3QCG - NX1 C12 H8 Br Cl O2 S2 c1cc(c(cc1....
128 3QCK ic50 = 5.8 uM NX5 C14 H10 Cl2 O2 S c1ccc(c(c1....
129 5OVX Ki = 7.8 uM AY5 C20 H17 Cl2 O5 P c1cc(cc(c1....
130 6H8R - FWB C10 H12 F3 N O C[C@@H](Cc....
131 5OW1 Ki = 20 uM AY8 C19 H21 F2 O4 P c1cc(cc(c1....
132 4J51 ic50 = 259 nM N75 C28 H20 Cl N O6 c1cc(cc(c1....
133 2I5X - UA5 C8 H11 N O3 S CCc1ccc(cc....
134 2I4H - UA1 C24 H32 N4 O8 S CC(C)(C)OC....
135 2H02 ic50 = 0.32 uM 2UN C19 H21 N O7 S COC(=O)C(C....
136 2I4G - UA1 C24 H32 N4 O8 S CC(C)(C)OC....
137 2H04 ic50 = 0.07 uM 4UN C21 H21 N5 O5 S Cc1nc(no1)....
138 2H03 ic50 = 0.09 uM 3UN C21 H32 N2 O9 S CCOC(=O)C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP ALA ASP GLU TYR LEU; Similar ligands found: 158
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP ALA ASP GLU TYR LEU 1 1
2 ASP ALA ASP GLU FTY LEU NH2 0.650485 0.745455
3 ACE ASP ALA ASP GLU FTY LEU NH2 0.650485 0.745455
4 ASP PHE GLU ASP TYR GLU PHE ASP 0.632653 0.84
5 GLU LEU ASP LYS TYR ALA SER 0.605505 0.865385
6 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.6 0.865385
7 SER ASP TYR GLN ARG LEU 0.6 0.8
8 ASP ASP LEU TYR GLY 0.583333 0.897959
9 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.580357 0.792453
10 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.571429 0.849057
11 ASP GLU LEU GLU ILE LYS ALA TYR 0.568965 0.846154
12 SER GLN TYR TYR TYR ASN SER LEU 0.567308 0.849057
13 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.565574 0.762712
14 ACE ILE TYR GLU SER LEU 0.563107 0.843137
15 THR ASN GLU TYR TYR VAL 0.55102 0.877551
16 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.544715 0.789474
17 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.54386 0.807692
18 TYR ASP GLN ILE LEU 0.538462 0.956522
19 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.53719 0.88
20 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.535433 0.689655
21 ASP SEP TYR GLU VAL LEU ASP LEU 0.532258 0.803571
22 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.530435 0.789474
23 TYR TYR GLU SER ASP TRP LEU 0.528455 0.758621
24 THR ASN GLU PHE TYR PHE 0.524752 0.816327
25 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.524194 0.849057
26 THR ASN GLU PHE TYR ALA 0.518519 0.86
27 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.517241 0.814815
28 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.516949 0.701754
29 GLU GLU GLN GLU GLU TYR 0.516484 0.847826
30 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.513761 0.895833
31 GLU ASN LEU TYR PHE GLN 0.513514 0.88
32 LEU ALA ILE TYR SER 0.509615 0.82
33 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.507576 0.68254
34 THR ASN GLU TYR LYS VAL 0.504587 0.826923
35 GLY ASN TYR SER PHE TYR ALA LEU 0.5 0.781818
36 THR PRO ASP TYR PHE LEU 0.5 0.77193
37 ASP ALA GLU PHE ARG HIS ASP 0.5 0.672727
38 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.495935 0.833333
39 THR ASN GLU PHE ALA PHE 0.495146 0.734694
40 CYS THR GLU LEU LYS LEU SER ASP TYR 0.491935 0.833333
41 ALA ARG THR GLU LEU TYR ARG SER LEU 0.491935 0.762712
42 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.491525 0.683333
43 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.489051 0.6875
44 SER LEU TYR LEU THR VAL ALA THR LEU 0.486726 0.84
45 GLY GLY LYS LYS LYS TYR LYS LEU 0.481481 0.826923
46 ASP PHE GLU GLU ILE 0.480392 0.808511
47 SER LEU TYR ASN THR VAL ALA THR LEU 0.478992 0.843137
48 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.477273 0.647059
49 ALA THR ALA ALA ALA THR GLU ALA TYR 0.476636 0.914894
50 SER LEU TYR ASN THR ILE ALA THR LEU 0.475 0.846154
51 SER LEU TYR ASN VAL VAL ALA THR LEU 0.475 0.843137
52 GLU ASN GLN LYS GLU TYR PHE PHE 0.473684 0.727273
53 GLY GLY LYS LYS LYS TYR GLN LEU 0.473684 0.826923
54 GLU ASP LEU 0.471264 0.8
55 PHE LEU ALA TYR LYS 0.469027 0.807692
56 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.466165 0.7
57 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.464286 0.737705
58 ALA GLU LYS ASP GLU LEU 0.463918 0.7
59 GLU ILE ILE ASN PHE GLU LYS LEU 0.463415 0.722222
60 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.462264 0.816327
61 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.461538 0.758621
62 ASP ARG VAL TYR 0.460784 0.956522
63 SER ILE ILE ASN PHE GLU LYS LEU 0.459677 0.745455
64 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.459016 0.826923
65 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.458015 0.803571
66 GLU VAL TYR GLU SER 0.457944 0.857143
67 SER SER ARG LYS GLU TYR TYR ALA 0.456897 0.694915
68 SER GLU ILE GLU PHE ALA ARG LEU 0.456693 0.677966
69 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.456693 0.807692
70 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.455357 0.914894
71 TYR GLN SER LYS LEU 0.454545 0.830189
72 GLU LEU ASP HOX TRP ALA SER 0.453846 0.711864
73 GLU LEU ARG ARG LYS MET MET TYR MET 0.452381 0.721311
74 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.452174 0.745455
75 THR TYR LYS PHE PHE GLU GLN 0.452174 0.745455
76 LEU ASP GLU PTR VAL ALA THR ARG 0.449541 0.811321
77 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.448529 0.721311
78 TYR ALA GLY SEP TPO ASP GLU ASN 0.447761 0.693548
79 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.446667 0.647059
80 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.446281 0.862745
81 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.446154 0.65
82 SER SER ILE GLU PHE ALA ARG LEU 0.446154 0.694915
83 ACE PRO ASP PTR GLU ASN LEU 0.444444 0.619718
84 THR PRO TYR ASP ILE ASN GLN MET LEU 0.443662 0.661765
85 MET ASN TYR ASP ILE 0.443299 0.891304
86 TYR TYR GLU SER GLY TRP LEU 0.442748 0.716667
87 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.442177 0.721311
88 PHE TYR ARG ALA LEU MET 0.440945 0.688525
89 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.440945 0.814815
90 SER LEU ARG PHE LEU TYR GLU GLY 0.440945 0.721311
91 VAL ASN ASP ILE PHE GLU ALA ILE 0.439024 0.854167
92 LYS ALA LEU TYR ASN PHE ALA THR MET 0.437037 0.762712
93 ACE VAL PHE PHE ALA GLU ASP NH2 0.436364 0.808511
94 LEU PRO SER PHE GLU THR ALA LEU 0.43609 0.65625
95 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.435714 0.781818
96 LYS MET ASP SEP PHE LEU ASP MET GLN LEU 0.433824 0.630769
97 SER TRP PHE GLN THR ASP LEU 0.432836 0.741379
98 TYR GLY GLY PHE LEU 0.432432 0.807692
99 ARG GLY TYR LEU TYR GLN GLY LEU 0.432 0.741379
100 GLY GLY LYS LYS ARG TYR LYS LEU 0.429752 0.741379
101 GLY GLY ARG LYS LYS TYR LYS LEU 0.429752 0.741379
102 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.429752 0.728814
103 GLY GLY LYS LYS LYS TYR ARG LEU 0.429752 0.741379
104 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.429577 0.77193
105 ACE GLN ALA ASP LEU PHE 0.427273 0.847826
106 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.427273 0.736842
107 SER GLN ASN TYR 0.427184 0.803922
108 TRP GLU GLU LEU 0.425926 0.735849
109 LYS ALA VAL TYR ASN LEU ALA THR MET 0.425373 0.789474
110 LEU ALA SER LEU GLU SER GLN SER 0.424528 0.745098
111 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.423077 0.758621
112 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.421769 0.676923
113 GLU THR PHE TYR VAL ASP GLY 0.421488 0.830189
114 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.419355 0.773585
115 PHE LEU SER TYR LYS 0.418803 0.781818
116 ACE GLN LEU ASP ALA PHE 0.418182 0.847826
117 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.41791 0.767857
118 HIS GLU GLU LEU ALA LYS LEU 0.417476 0.7
119 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.417391 0.754717
120 PHE GLU ALA ASN GLY ASN LEU ILE 0.417323 0.788462
121 GLU LEU ASN ARG LYS MET ILE TYR MET 0.416667 0.6875
122 GLU ALA ASP LYS TRP GLN SER 0.416667 0.65
123 SER GLU LEU GLU ILE LYS ARG TYR 0.416667 0.721311
124 SER HIS PHE ASN GLU TYR GLU 0.416667 0.672131
125 GLU GLN TYR LYS PHE TYR SER VAL 0.416 0.767857
126 GLY LEU TYR ALA SER LYS LEU ALA 0.415254 0.796296
127 ARG GLU ASP GLN GLU THR ALA VAL 0.414414 0.791667
128 ACE PHE ASP GLU MET GLU GLU CYS 0.414414 0.716981
129 LEU GLU PHE GLN GLY 0.414414 0.76
130 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.413043 0.758621
131 GLU LEU LYS ARG LYS MET ILE TYR MET 0.413043 0.693548
132 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.413043 0.721311
133 SEP GLN GLU TYR NH2 0.412844 0.719298
134 GLU LEU LYS TPO GLU ARG TYR 0.411765 0.692308
135 ALA TYR ASP GLU SEP TPO ASP GLU GLU 0.410853 0.736842
136 TYR GLU TRP 0.410714 0.735849
137 LYS TYR LYS 0.41 0.745098
138 LEU GLU LYS ALA ARG GLY SER THR TYR 0.409722 0.737705
139 GLU LEU ASP ORN TRP ALA SER 0.409091 0.724138
140 ALA LEU ASP LEU PHE 0.408163 0.822222
141 GLN MET PRO THR GLU ASP GLU TYR 0.407143 0.656716
142 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.406667 0.676923
143 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.40625 0.645161
144 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.40625 0.66129
145 GLU LEU ASP LYS TRP ALA SER 0.406015 0.711864
146 ASP ILE ASN TYR TYR THR SER GLU PRO 0.405797 0.647059
147 PHE ARG TYR LEU GLY 0.404959 0.741379
148 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.404412 0.694915
149 ACE 1PA GLU GLU ILE 0.403846 0.75
150 PHE ASN GLU LEU SER HIS LEU 0.403509 0.689655
151 HIS VAL ALA VAL GLU ASN ALA LEU 0.403226 0.722222
152 GLU LEU ASP 1OL VAL GLU PHE 0.403101 0.87234
153 SER HIS VAL ALA VAL GLU ASN ALA LEU 0.403101 0.706897
154 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.402878 0.77193
155 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.402778 0.642857
156 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.4 0.773585
157 SER ILE ILE GLY PHE GLU LYS LEU 0.4 0.727273
158 GLU ALA GLN THR ARG LEU 0.4 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CNE; Ligand: DFJ; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2cne.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 2IMG MLT 28.4768
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