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Receptor
PDB id Resolution Class Description Source Keywords
1Y93 1.03 Å EC: 3.4.24.65 CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 COM WITH ACETOHYDROXAMIC ACID AT ATOMIC RESOLUTION HOMO SAPIENS MATRIX METALLOPROTEINASE MMP12 ELASTASE COMPLEX (ELASTASEINHIBITOR) METALLO ELASTASE ACETOHYDROXAMIC ACID HYDROLA
Ref.: CONFORMATIONAL VARIABILITY OF MATRIX METALLOPROTEIN BEYOND A SINGLE 3D STRUCTURE PROC.NATL.ACAD.SCI.USA V. 102 5334 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:266;
A:267;
A:268;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
HAE A:301;
Valid;
none;
Kd = 8 mM
75.067 C2 H5 N O2 CC(=O...
ZN A:264;
A:265;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GQL 1.15 Å EC: 3.4.24.65 CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 IN WITH SELECTIVE PHOSPHINIC INHIBITOR RXP470.1 HOMO SAPIENS POTENT SELECTIVE PHOSPHINIC INHIBITOR METZINCIN ZINC PROTEHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: MOLECULAR DETERMINANTS OF A SELECTIVE MATRIX METALLOPROTEASE-12 INHIBITOR: INSIGHTS FROM CRYSTAL AND THERMODYNAMIC STUDIES. J.MED.CHEM. V. 56 1149 2013
Members (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5I4O - V28 C28 H35 N5 O9 S CC(C)[C@H]....
2 4GQL Ki = 0.26 nM R47 C35 H35 Br Cl N4 O10 P c1cc(cc(c1....
3 1UTT ic50 = 24 uM CP8 C19 H20 N2 O4 S C[N@@]1c2c....
4 5I0L ic50 = 10 nM H27 C34 H42 N4 O12 S2 CC(C)[C@H]....
5 4EFS Ki = 2.5 nM E37 C22 H20 N2 O4 S c1ccc(cc1)....
6 4GR3 Ki = 15.5 nM R45 C29 H32 Br N4 O10 P c1ccc(cc1)....
7 5CZM - R47 C35 H35 Br Cl N4 O10 P c1cc(cc(c1....
8 1Y93 Kd = 8 mM HAE C2 H5 N O2 CC(=O)NO
9 3TSK - QEG C29 H32 N4 O6 S c1ccc(cc1)....
10 2W0D ic50 ~ 2 nM CGS C18 H23 N3 O5 S CC(C)[C@H]....
11 3F16 Kd = 5.91 nM HS3 C10 H12 N2 O6 S COc1ccc(cc....
12 5D3C - 56O C30 H32 Cl N5 O10 c1cc(cc(c1....
13 3NX7 Kd = 7.88 nM NHK C11 H16 N2 O6 S COc1ccc(cc....
14 3N2U - D3X C17 H26 N2 O11 S COc1ccc(cc....
15 2OXW - ILE ALA GLY n/a n/a
16 3EHY Ki = 1.4 uM TBL C10 H13 N O5 S C[C@H](C(=....
17 1UTZ ic50 = 0.014 uM PF3 C25 H20 N2 O3 S c1ccc(cc1)....
18 3LKA Kd = 1.5 mM M4S C7 H9 N O3 S COc1ccc(cc....
19 3F19 Kd = 65.1 nM HS6 C8 H7 F N2 O4 S c1cc(ccc1F....
20 5L7F Ki = 0.9 nM R47 6PJ n/a n/a
21 6ENM - LPW C21 H19 N O5 S COc1ccc(cc....
22 3EHX Ki = 25 nM BDL C18 H21 N O4 S CC(C)C[C@H....
23 6EOX - BKW C21 H18 O5 S COc1ccc(cc....
24 2HU6 Kd = 154 uM 37A C20 H21 N3 O5 c1ccc(cc1)....
25 3N2V - JT5 C16 H18 N2 O5 S c1ccc(cc1)....
26 3F18 Kd = 29.5 nM HS5 C10 H11 F N2 O5 S c1cc(ccc1F....
27 4GR8 Ki = 14.7 nM R4C C25 H28 Br N4 O6 P C[C@@H](C(....
28 3F15 Kd = 7.88 nM HS1 C12 H16 N2 O7 S COc1ccc(cc....
29 6ELA - B9Z C24 H22 O5 S COc1ccc(cc....
30 5N5J - HAE C2 H5 N O2 CC(=O)NO
31 2OXZ - ILE ALA GLY n/a n/a
32 3LIK Ki = 1.92 nM EEG C29 H31 N3 O7 S c1ccc(cc1)....
33 5I43 - 67M C37 H47 N5 O13 S CC(C)[C@H]....
34 3F17 Kd = 2.36 nM HS4 C14 H12 N2 O4 S c1ccc(cc1)....
35 6EKN - B9N C24 H22 O7 S COc1ccc(cc....
36 5D2B - 56O C30 H32 Cl N5 O10 c1cc(cc(c1....
37 2WO8 ic50 = 0.52 uM 077 C17 H18 O3 c1ccc(cc1)....
38 1OS2 - HAE C2 H5 N O2 CC(=O)NO
39 4GR0 Ki = 0.28 nM R4B C31 H31 Br Cl N4 O6 P C[C@@H](C(....
40 2WOA ic50 = 1.15 uM 576 C18 H18 O3 c1ccc-2c(c....
41 3LK8 Kd = 19.7 nM Z79 C9 H12 N2 O5 S COc1ccc(cc....
42 5L79 Ki = 0.9 nM R47 6PJ n/a n/a
43 3F1A Kd = 61.1 nM HS7 C8 H8 N2 O4 S c1ccc(cc1)....
44 5N5K - HAE C2 H5 N O2 CC(=O)NO
45 2WO9 ic50 = 0.062 uM 068 C19 H20 O4 CC(=O)c1cc....
46 3LJG Ki = 18.6 nM EEF C25 H29 N3 O7 c1ccc(cc1)....
47 5I3M - 67F C28 H38 N4 O9 S2 CC(C)[C@@H....
48 1RMZ - NGH C13 H20 N2 O5 S CC(C)C[N@]....
49 3LIL Ki = 8.3 nM EEA C28 H29 Cl N4 O8 c1cc(cc(c1....
50 4I03 - L88 C58 H66 N4 O11 S2 c1ccc(cc1)....
51 1ROS ic50 = 0.0017 uM DEO C28 H25 N O6 CCOc1ccc(c....
52 5CXA - 55L C30 H31 Cl N4 O10 c1cc(cc(c1....
53 5I2Z - V24 C34 H41 N5 O12 S CC(C)[C@H]....
54 1JK3 - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
55 3LIR Ki = 119 nM EEC C22 H26 N4 O8 c1ccc(cc1)....
56 3TS4 Ki = 1.9 nM EEG C29 H31 N3 O7 S c1ccc(cc1)....
70% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5I4O - V28 C28 H35 N5 O9 S CC(C)[C@H]....
2 4GQL Ki = 0.26 nM R47 C35 H35 Br Cl N4 O10 P c1cc(cc(c1....
3 1UTT ic50 = 24 uM CP8 C19 H20 N2 O4 S C[N@@]1c2c....
4 5I0L ic50 = 10 nM H27 C34 H42 N4 O12 S2 CC(C)[C@H]....
5 4EFS Ki = 2.5 nM E37 C22 H20 N2 O4 S c1ccc(cc1)....
6 4GR3 Ki = 15.5 nM R45 C29 H32 Br N4 O10 P c1ccc(cc1)....
7 5CZM - R47 C35 H35 Br Cl N4 O10 P c1cc(cc(c1....
8 1Y93 Kd = 8 mM HAE C2 H5 N O2 CC(=O)NO
9 3TSK - QEG C29 H32 N4 O6 S c1ccc(cc1)....
10 2W0D ic50 ~ 2 nM CGS C18 H23 N3 O5 S CC(C)[C@H]....
11 3F16 Kd = 5.91 nM HS3 C10 H12 N2 O6 S COc1ccc(cc....
12 5D3C - 56O C30 H32 Cl N5 O10 c1cc(cc(c1....
13 3NX7 Kd = 7.88 nM NHK C11 H16 N2 O6 S COc1ccc(cc....
14 3N2U - D3X C17 H26 N2 O11 S COc1ccc(cc....
15 2OXW - ILE ALA GLY n/a n/a
16 3EHY Ki = 1.4 uM TBL C10 H13 N O5 S C[C@H](C(=....
17 1UTZ ic50 = 0.014 uM PF3 C25 H20 N2 O3 S c1ccc(cc1)....
18 3LKA Kd = 1.5 mM M4S C7 H9 N O3 S COc1ccc(cc....
19 3F19 Kd = 65.1 nM HS6 C8 H7 F N2 O4 S c1cc(ccc1F....
50% Homology Family (162)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2XS4 - ALA PHE THR n/a n/a
2 4IN9 Ki = 10.7 uM SER TRP PHE PRO n/a n/a
3 2XS3 - ALA PHE THR SER n/a n/a
4 1D8M - BBH C19 H21 N3 O6 S COc1ccc(cc....
5 1BIW ic50 = 104 nM S80 C20 H37 N3 O6 CC(C)C[C@H....
6 4DPE - NGH C13 H20 N2 O5 S CC(C)C[N@]....
7 2D1O Ki = 0.02 uM FA4 C24 H42 N6 O3 [H]/N=C(/N....
8 1HY7 ic50 = 4090 nM MBS C20 H21 N O6 S COCC#CC[C@....
9 1BQO ic50 = 18.4 nM N25 C21 H27 N3 O8 S2 CC1(C[N@](....
10 2USN Ki = 0.31 uM IN8 C19 H18 N4 O3 S2 c1ccc(cc1)....
11 1B3D - S27 C20 H27 N2 O3 P CC(C)C[C@H....
12 1CIZ Ki = 36 nM DPS C28 H29 N3 O4 S c1ccc(cc1)....
13 1D8F ic50 = 18 nM SPI C20 H23 N3 O7 S COc1ccc(cc....
14 1HFS Ki = 2 nM L04 C43 H48 F N3 O5 CC(C)C[C@@....
15 1D7X - SPC C13 H19 N3 O6 S COc1ccc(cc....
16 1G05 ic50 = 3.1 nM BBH C19 H21 N3 O6 S COc1ccc(cc....
17 1B8Y Ki = 14 nM IN7 C19 H22 N2 O4 S c1ccc(cc1)....
18 1CAQ Ki = 19 nM DPS C28 H29 N3 O4 S c1ccc(cc1)....
19 1G4K - HQQ C17 H14 N2 O4 CC1(C(=O)N....
20 4JA1 - NGH C13 H20 N2 O5 S CC(C)C[N@]....
21 1G49 ic50 = 16 nM 111 C16 H25 N3 O7 S2 CCCCOc1ccc....
22 1SLN Ki = 0.23 uM INH C25 H35 N6 O4 C[C@H](C(=....
23 1C3I - TR1 C24 H31 N3 O4 S CC(C)[C@@H....
24 1USN Ki = 0.018 uM IN9 C13 H10 F5 N5 O2 S2 CNC(=O)[C@....
25 4G9L - NGH C13 H20 N2 O5 S CC(C)C[N@]....
26 3AYU - ILE SER TYR GLY ASN ASP ALA LEU MET PRO n/a n/a
27 5I4O - V28 C28 H35 N5 O9 S CC(C)[C@H]....
28 4GQL Ki = 0.26 nM R47 C35 H35 Br Cl N4 O10 P c1cc(cc(c1....
29 1UTT ic50 = 24 uM CP8 C19 H20 N2 O4 S C[N@@]1c2c....
30 5I0L ic50 = 10 nM H27 C34 H42 N4 O12 S2 CC(C)[C@H]....
31 4EFS Ki = 2.5 nM E37 C22 H20 N2 O4 S c1ccc(cc1)....
32 4GR3 Ki = 15.5 nM R45 C29 H32 Br N4 O10 P c1ccc(cc1)....
33 5CZM - R47 C35 H35 Br Cl N4 O10 P c1cc(cc(c1....
34 1Y93 Kd = 8 mM HAE C2 H5 N O2 CC(=O)NO
35 3TSK - QEG C29 H32 N4 O6 S c1ccc(cc1)....
36 2W0D ic50 ~ 2 nM CGS C18 H23 N3 O5 S CC(C)[C@H]....
37 3F16 Kd = 5.91 nM HS3 C10 H12 N2 O6 S COc1ccc(cc....
38 5D3C - 56O C30 H32 Cl N5 O10 c1cc(cc(c1....
39 3NX7 Kd = 7.88 nM NHK C11 H16 N2 O6 S COc1ccc(cc....
40 3N2U - D3X C17 H26 N2 O11 S COc1ccc(cc....
41 2OXW - ILE ALA GLY n/a n/a
42 3EHY Ki = 1.4 uM TBL C10 H13 N O5 S C[C@H](C(=....
43 1UTZ ic50 = 0.014 uM PF3 C25 H20 N2 O3 S c1ccc(cc1)....
44 3LKA Kd = 1.5 mM M4S C7 H9 N O3 S COc1ccc(cc....
45 3F19 Kd = 65.1 nM HS6 C8 H7 F N2 O4 S c1cc(ccc1F....
46 5L7F Ki = 0.9 nM R47 6PJ n/a n/a
47 6ENM - LPW C21 H19 N O5 S COc1ccc(cc....
48 3EHX Ki = 25 nM BDL C18 H21 N O4 S CC(C)C[C@H....
49 6EOX - BKW C21 H18 O5 S COc1ccc(cc....
50 2HU6 Kd = 154 uM 37A C20 H21 N3 O5 c1ccc(cc1)....
51 3N2V - JT5 C16 H18 N2 O5 S c1ccc(cc1)....
52 3F18 Kd = 29.5 nM HS5 C10 H11 F N2 O5 S c1cc(ccc1F....
53 4GR8 Ki = 14.7 nM R4C C25 H28 Br N4 O6 P C[C@@H](C(....
54 3F15 Kd = 7.88 nM HS1 C12 H16 N2 O7 S COc1ccc(cc....
55 6ELA - B9Z C24 H22 O5 S COc1ccc(cc....
56 5N5J - HAE C2 H5 N O2 CC(=O)NO
57 2OXZ - ILE ALA GLY n/a n/a
58 3LIK Ki = 1.92 nM EEG C29 H31 N3 O7 S c1ccc(cc1)....
59 5I43 - 67M C37 H47 N5 O13 S CC(C)[C@H]....
60 3F17 Kd = 2.36 nM HS4 C14 H12 N2 O4 S c1ccc(cc1)....
61 6EKN - B9N C24 H22 O7 S COc1ccc(cc....
62 5D2B - 56O C30 H32 Cl N5 O10 c1cc(cc(c1....
63 2WO8 ic50 = 0.52 uM 077 C17 H18 O3 c1ccc(cc1)....
64 1OS2 - HAE C2 H5 N O2 CC(=O)NO
65 4GR0 Ki = 0.28 nM R4B C31 H31 Br Cl N4 O6 P C[C@@H](C(....
66 2WOA ic50 = 1.15 uM 576 C18 H18 O3 c1ccc-2c(c....
67 3LK8 Kd = 19.7 nM Z79 C9 H12 N2 O5 S COc1ccc(cc....
68 5L79 Ki = 0.9 nM R47 6PJ n/a n/a
69 3F1A Kd = 61.1 nM HS7 C8 H8 N2 O4 S c1ccc(cc1)....
70 5N5K - HAE C2 H5 N O2 CC(=O)NO
71 2WO9 ic50 = 0.062 uM 068 C19 H20 O4 CC(=O)c1cc....
72 3LJG Ki = 18.6 nM EEF C25 H29 N3 O7 c1ccc(cc1)....
73 5I3M - 67F C28 H38 N4 O9 S2 CC(C)[C@@H....
74 1RMZ - NGH C13 H20 N2 O5 S CC(C)C[N@]....
75 3LIL Ki = 8.3 nM EEA C28 H29 Cl N4 O8 c1cc(cc(c1....
76 4I03 - L88 C58 H66 N4 O11 S2 c1ccc(cc1)....
77 1ROS ic50 = 0.0017 uM DEO C28 H25 N O6 CCOc1ccc(c....
78 5CXA - 55L C30 H31 Cl N4 O10 c1cc(cc(c1....
79 5I2Z - V24 C34 H41 N5 O12 S CC(C)[C@H]....
80 1JK3 - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
81 3LIR Ki = 119 nM EEC C22 H26 N4 O8 c1ccc(cc1)....
82 3TS4 Ki = 1.9 nM EEG C29 H31 N3 O7 S c1ccc(cc1)....
83 3KEJ Ki = 75.9 nM 3EJ C22 H17 F N6 O3 c1cc(cc(c1....
84 4L19 Ki = 0.8 uM 1UA C15 H16 N2 O S Cc1ccc(cc1....
85 5BOT ic50 = 39 uM 4UM C12 H12 N2 O3 CCOC(=O)c1....
86 3KRY Kd < 0.1 nM 3KR C22 H23 F3 N2 O7 S COCCN1CCC(....
87 1XUD ic50 = 8 nM PB4 C22 H20 F2 N4 O2 Cc1cc(ccc1....
88 3I7I ic50 = 620 nM 518 C29 H29 N3 O5 CNC(=O)[C@....
89 3WV1 ic50 = 0.0039 nM WHH C26 H22 F N3 O6 COc1cccc(c....
90 5BPA ic50 = 0.001 uM 4UF C24 H22 N4 O5 CCOC(=O)c1....
91 4JPA ic50 = 3.3 nM AZ6 C21 H23 N7 O5 S C[C@]1(C(=....
92 5B5O ic50 = 1900 nM WMM C12 H11 N5 S2 c1ccc(cc1)....
93 2OW9 ic50 = 30 nM SP6 C21 H16 N2 O4 S c1ccc(cc1)....
94 3ELM ic50 = 0.5 nM 24F C23 H30 N2 O7 S2 CCOc1ccc(c....
95 1CXV - CBP C19 H20 Cl N O6 S c1cc(ccc1O....
96 4A7B - 3W5 C27 H30 N2 O5 S c1cc(ccc1C....
97 3WV2 ic50 = 12 nM WGG C17 H15 N3 O3 COc1cccc(c....
98 4JP4 - AZ4 C19 H23 F4 N7 O5 S c1c(cnc(n1....
99 2OZR ic50 = 0.67 nM GG1 C26 H20 N2 O4 CN1c2ccc(c....
100 5UWK ic50 = 2.3 nM 8OM C25 H27 N3 O5 S2 CC(C)[C@@H....
101 1YOU ic50 = 0.87 nM PFD C20 H19 F N2 O6 CCOCCC1(C(....
102 830C Ki = 0.52 nM RS1 C19 H20 Cl N O6 S c1cc(ccc1O....
103 5BOY ic50 = 2.5 uM 4UE C15 H15 N3 O2 CCOC(=O)c1....
104 3I7G ic50 = 430 nM 732 C20 H23 Cl N2 O3 CNC(=O)[C@....
105 1XUC ic50 = 72 nM PB3 C22 H22 N4 O2 Cc1cccc(c1....
106 1ZTQ ic50 = 1.3 nM 033 C26 H24 N2 O6 S CC(C)[C@@H....
107 456C Ki = 0.17 nM CBP C19 H20 Cl N O6 S c1cc(ccc1O....
108 1XUR ic50 = 6600 nM PB5 C18 H16 N6 O2 c1cc(cnc1)....
109 2D1N Ki = 0.007 uM FA4 C24 H42 N6 O3 [H]/N=C(/N....
110 3KEC ic50 = 130 nM 3KE C24 H21 N5 O4 COc1ccc(cc....
111 5UWM ic50 = 356 nM 8OA C25 H28 N4 O4 S CC(C)[C@H]....
112 3TVC Ki = 18 nM E3P C26 H26 N2 O4 c1ccc(cc1)....
113 3ZXH - E41 C20 H28 N2 O4 S CC(C)CCN([....
114 3KEK Ki = 4.4 nM 3EK C24 H26 F N5 O3 Cc1cc(cc(n....
115 3WV3 ic50 = 24 nM WLL C15 H13 N3 O3 S COc1cccc(c....
116 2YIG ic50 = 79.4 nM 5EL C28 H27 N3 O3 c1cc(ccc1C....
117 5B5P ic50 = 0.2 nM WNN C20 H18 N6 O3 S c1ccc2c(c1....
118 3LJZ Ki = 7.3 nM LA3 C27 H26 N2 O6 c1ccc2c(c1....
119 1MNC - PLH C18 H27 N3 O4 CC(C)C[C@H....
120 3DPE ic50 = 57 nM AXB C24 H21 N5 O6 S2 c1cc2c(cc1....
121 1I76 - BSI C22 H19 N O4 S c1ccc(cc1)....
122 1ZP5 ic50 = 1200 uM 2NI C17 H17 N3 O3 CN(CCOc1cc....
123 1JAP - PRO LEU GLY HOA n/a n/a
124 2OY2 - ILE ALA GLY n/a n/a
125 1I73 - PRO LEU PAT n/a n/a
126 3DNG ic50 = 7.4 nM AXA C22 H21 N5 O5 S c1cc2c(cc1....
127 1JAO Ki = 1.2 uM 0D3 C15 H21 N3 O3 S NULL
128 1ZS0 Ki = 0.7 uM EIN C17 H22 N O6 P S CC(C)[C@@H....
129 1BZS ic50 = 10 nM BSI C22 H19 N O4 S c1ccc(cc1)....
130 1JAQ Ki = 33 uM 01S C12 H22 N4 O5 NULL
131 1KBC - HLE RIN n/a n/a
132 1JAN - PRO LEU GLY HOA n/a n/a
133 5H8X ic50 = 3.1 uM 7FY C18 H15 N O4 S c1ccc(cc1)....
134 1MMB - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
135 3DPF - AXB C24 H21 N5 O6 S2 c1cc2c(cc1....
136 1JJ9 ic50 = 1700 nM BBT C17 H21 N3 O4 c1ccc(cc1)....
137 1ZVX Ki = 0.6 nM FIN C17 H22 N O6 P S CC(C)[C@H]....
138 3TT4 Ki = 5.3 nM E1S C19 H22 N2 O4 S Cc1ccc(s1)....
139 1MMQ Ki = 0.03 uM RRS C25 H36 N4 O4 CC(C)C[C@H....
140 2Y6C ic50 = 50 uM TQI C18 H14 Cl F3 N2 O4 S c1ccc2c(c1....
141 1MMP Ki = 0.85 uM RSS C25 H35 N3 O4 CC(C)C[C@H....
142 1MMR Ki = 4 uM SRS C25 H39 N5 O2 S CC(C)C[C@H....
143 4JQG - 8MC PRO LEU GLY PFF DNW ALA ARG NH2 n/a n/a
144 1GKC - NFH C15 H29 N3 O4 CC(C)C[C@H....
145 5I12 ic50 = 1200 nM H27 C34 H42 N4 O12 S2 CC(C)[C@H]....
146 1GKD - STN BUM n/a n/a
147 2OW0 - 6MR C23 H19 I N2 O4 S c1ccc2c(c1....
148 4WZV ic50 = 0.43 nM E40 C28 H29 N3 O8 S CC(C)ON([C....
149 2OVX - 4MR C24 H22 N6 O4 c1ccc(cc1)....
150 6ESM - B9Z C24 H22 O5 S COc1ccc(cc....
151 4JIJ - 8MC PRO LEU GLY PHI DNW ALA ARG NH2 n/a n/a
152 4XCT ic50 = 6.7 nM N73 C20 H24 N2 O5 S CC(C)[C@H]....
153 2OW1 - 7MR C16 H15 F3 N2 O5 S c1ccc(cc1)....
154 2OVZ - 5MR C30 H29 N4 O5 P c1ccc(cc1)....
155 1CGL Ki = 135 nM 0ED C33 H47 N5 O7 NULL
156 966C Ki = 23 nM RS2 C19 H21 N O6 S c1ccc(cc1)....
157 2TCL ic50 = 9 nM RO4 C19 H35 N3 O6 CCOC(=O)[C....
158 1HFC - PLH C18 H27 N3 O4 CC(C)C[C@H....
159 5UE4 Kd = 3.3 uM 5XQ C16 H16 N4 O2 S2 Cc1c(sc(n1....
160 1RM8 - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
161 1Q3A - NGH C13 H20 N2 O5 S CC(C)C[N@]....
162 5H0U - HIS HIS HIS HIS HIS HIS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HAE; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HAE 1 1
2 NHY 0.466667 0.633333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4GQL; Ligand: R47; 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: 4gql.bio1) has 65 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
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