Receptor
PDB id Resolution Class Description Source Keywords
4DPE 1.96 Å EC: 3.4.24.17 STRUCTURE OF MMP3 COMPLEXED WITH A PLATINUM-BASED INHIBITOR. HOMO SAPIENS MATRIX METALLOPROTEASE HYDROLASE-HYDROLASE INHIBITOR COMPLE
Ref.: STRUCTURE OF MATRIX METALLOPROTEINASE-3 WITH A PLATINUM-BASED INHIBITOR. CHEM.COMMUN.(CAMB.) V. 49 5492 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PT B:309;
A:306;
B:307;
B:308;
B:306;
B:310;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
195.078 Pt [Pt+2...
ZN B:301;
A:301;
B:302;
A:302;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
CA B:303;
A:304;
A:305;
B:305;
B:304;
A:303;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CL B:311;
B:312;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
NGH B:313;
Valid;
none;
submit data
316.373 C13 H20 N2 O5 S CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1HFS 1.7 Å EC: 3.4.24.17 CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAS STROMELYSIN-1 INHIBITED WITH THE N-CARBOXY-ALKYL INHIBITOR HOMO SAPIENS HYDROLASE METALLOPROTEASE MATRIX METALLOPROTEASE-3 PROTEO
Ref.: INHIBITION OF STROMELYSIN-1 (MMP-3) BY P1'-BIPHENYL CARBOXYALKYL DIPEPTIDES. J.MED.CHEM. V. 40 1026 1997
Members (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1D8M - BBH C19 H21 N3 O6 S COc1ccc(cc....
2 1BIW ic50 = 104 nM S80 C20 H37 N3 O6 CC(C)C[C@H....
3 4DPE - NGH C13 H20 N2 O5 S CC(C)C[N@]....
4 2D1O Ki = 0.02 uM FA4 C24 H42 N6 O3 [H]/N=C(/N....
5 1HY7 ic50 = 4090 nM MBS C20 H21 N O6 S COCC#CC[C@....
6 1BQO ic50 = 18.4 nM N25 C21 H27 N3 O8 S2 CC1(C[N@](....
7 2USN Ki = 0.31 uM IN8 C19 H18 N4 O3 S2 c1ccc(cc1)....
8 1B3D - S27 C20 H27 N2 O3 P CC(C)C[C@H....
9 1CIZ Ki = 36 nM DPS C28 H29 N3 O4 S c1ccc(cc1)....
10 1D8F ic50 = 18 nM SPI C20 H23 N3 O7 S COc1ccc(cc....
11 1HFS Ki = 2 nM L04 C43 H48 F N3 O5 CC(C)C[C@@....
12 1D7X - SPC C13 H19 N3 O6 S COc1ccc(cc....
13 1G05 ic50 = 3.1 nM BBH C19 H21 N3 O6 S COc1ccc(cc....
14 1B8Y Ki = 14 nM IN7 C19 H22 N2 O4 S c1ccc(cc1)....
15 1CAQ Ki = 19 nM DPS C28 H29 N3 O4 S c1ccc(cc1)....
16 1G4K - HQQ C17 H14 N2 O4 CC1(C(=O)N....
17 4JA1 - NGH C13 H20 N2 O5 S CC(C)C[N@]....
18 1G49 ic50 = 16 nM 111 C16 H25 N3 O7 S2 CCCCOc1ccc....
19 1SLN Ki = 0.23 uM INH C25 H35 N6 O4 C[C@H](C(=....
20 1C3I - TR1 C24 H31 N3 O4 S CC(C)[C@@H....
21 1USN Ki = 0.018 uM IN9 C13 H10 F5 N5 O2 S2 CNC(=O)[C@....
22 4G9L - NGH C13 H20 N2 O5 S CC(C)C[N@]....
70% Homology Family (137)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1D8M - BBH C19 H21 N3 O6 S COc1ccc(cc....
2 1BIW ic50 = 104 nM S80 C20 H37 N3 O6 CC(C)C[C@H....
3 4DPE - NGH C13 H20 N2 O5 S CC(C)C[N@]....
4 2D1O Ki = 0.02 uM FA4 C24 H42 N6 O3 [H]/N=C(/N....
5 1HY7 ic50 = 4090 nM MBS C20 H21 N O6 S COCC#CC[C@....
6 1BQO ic50 = 18.4 nM N25 C21 H27 N3 O8 S2 CC1(C[N@](....
7 2USN Ki = 0.31 uM IN8 C19 H18 N4 O3 S2 c1ccc(cc1)....
8 1B3D - S27 C20 H27 N2 O3 P CC(C)C[C@H....
9 1CIZ Ki = 36 nM DPS C28 H29 N3 O4 S c1ccc(cc1)....
10 1D8F ic50 = 18 nM SPI C20 H23 N3 O7 S COc1ccc(cc....
11 1HFS Ki = 2 nM L04 C43 H48 F N3 O5 CC(C)C[C@@....
12 1D7X - SPC C13 H19 N3 O6 S COc1ccc(cc....
13 1G05 ic50 = 3.1 nM BBH C19 H21 N3 O6 S COc1ccc(cc....
14 1B8Y Ki = 14 nM IN7 C19 H22 N2 O4 S c1ccc(cc1)....
15 1CAQ Ki = 19 nM DPS C28 H29 N3 O4 S c1ccc(cc1)....
16 1G4K - HQQ C17 H14 N2 O4 CC1(C(=O)N....
17 4JA1 - NGH C13 H20 N2 O5 S CC(C)C[N@]....
18 1G49 ic50 = 16 nM 111 C16 H25 N3 O7 S2 CCCCOc1ccc....
19 1SLN Ki = 0.23 uM INH C25 H35 N6 O4 C[C@H](C(=....
20 1C3I - TR1 C24 H31 N3 O4 S CC(C)[C@@H....
21 1USN Ki = 0.018 uM IN9 C13 H10 F5 N5 O2 S2 CNC(=O)[C@....
22 4G9L - NGH C13 H20 N2 O5 S CC(C)C[N@]....
23 3AYU - ILE SER TYR GLY ASN ASP ALA LEU MET PRO n/a n/a
24 4GQL Ki = 0.26 nM R47 C35 H35 Br Cl N4 O10 P c1cc(cc(c1....
25 1UTT ic50 = 24 uM CP8 C19 H20 N2 O4 S C[N@@]1c2c....
26 5I0L ic50 = 10 nM H27 C34 H42 N4 O12 S2 CC(C)[C@H]....
27 4EFS Ki = 2.5 nM E37 C22 H20 N2 O4 S c1ccc(cc1)....
28 4GR3 Ki = 15.5 nM R45 C29 H32 Br N4 O10 P c1ccc(cc1)....
29 5CZM - R47 C35 H35 Br Cl N4 O10 P c1cc(cc(c1....
30 1Y93 Kd = 8 mM HAE C2 H5 N O2 CC(=O)NO
31 3TSK - QEG C29 H32 N4 O6 S c1ccc(cc1)....
32 2W0D ic50 ~ 2 nM CGS C18 H23 N3 O5 S CC(C)[C@H]....
33 3F16 Kd = 5.91 nM HS3 C10 H12 N2 O6 S COc1ccc(cc....
34 5D3C - 56O C30 H32 Cl N5 O10 c1cc(cc(c1....
35 3NX7 Kd = 7.88 nM NHK C11 H16 N2 O6 S COc1ccc(cc....
36 3N2U - D3X C17 H26 N2 O11 S COc1ccc(cc....
37 2OXW - ILE ALA GLY n/a n/a
38 3EHY Ki = 1.4 uM TBL C10 H13 N O5 S C[C@H](C(=....
39 1UTZ ic50 = 0.014 uM PF3 C25 H20 N2 O3 S c1ccc(cc1)....
40 3LKA Kd = 1.5 mM M4S C7 H9 N O3 S COc1ccc(cc....
41 3F19 Kd = 65.1 nM HS6 C8 H7 F N2 O4 S c1cc(ccc1F....
42 5L7F Ki = 0.9 nM R47 6PJ n/a n/a
43 3EHX Ki = 25 nM BDL C18 H21 N O4 S CC(C)C[C@H....
44 2HU6 Kd = 154 uM 37A C20 H21 N3 O5 c1ccc(cc1)....
45 3N2V - JT5 C16 H18 N2 O5 S c1ccc(cc1)....
46 3F18 Kd = 29.5 nM HS5 C10 H11 F N2 O5 S c1cc(ccc1F....
47 4GR8 Ki = 14.7 nM R4C C25 H28 Br N4 O6 P C[C@@H](C(....
48 3F15 Kd = 7.88 nM HS1 C12 H16 N2 O7 S COc1ccc(cc....
49 2OXZ - ILE ALA GLY n/a n/a
50 3LIK Ki = 1.92 nM EEG C29 H31 N3 O7 S c1ccc(cc1)....
51 5D2B - 56O C30 H32 Cl N5 O10 c1cc(cc(c1....
52 2WO8 ic50 = 0.52 uM 077 C17 H18 O3 c1ccc(cc1)....
53 1OS2 - HAE C2 H5 N O2 CC(=O)NO
54 4GR0 Ki = 0.28 nM R4B C31 H31 Br Cl N4 O6 P C[C@@H](C(....
55 2WOA ic50 = 1.15 uM 576 C18 H18 O3 c1ccc-2c(c....
56 3LK8 Kd = 19.7 nM Z79 C9 H12 N2 O5 S COc1ccc(cc....
57 5L79 Ki = 0.9 nM R47 6PJ n/a n/a
58 3F1A Kd = 61.1 nM HS7 C8 H8 N2 O4 S c1ccc(cc1)....
59 2WO9 ic50 = 0.062 uM 068 C19 H20 O4 CC(=O)c1cc....
60 3LJG Ki = 18.6 nM EEF C25 H29 N3 O7 c1ccc(cc1)....
61 5I3M - 67F C28 H38 N4 O9 S2 CC(C)[C@@H....
62 1RMZ - NGH C13 H20 N2 O5 S CC(C)C[N@]....
63 3LIL Ki = 8.3 nM EEA C28 H29 Cl N4 O8 c1cc(cc(c1....
64 4I03 - L88 C58 H66 N4 O11 S2 c1ccc(cc1)....
65 1ROS ic50 = 0.0017 uM DEO C28 H25 N O6 CCOc1ccc(c....
66 5CXA - 55L C30 H31 Cl N4 O10 c1cc(cc(c1....
67 5I2Z - V24 C34 H41 N5 O12 S CC(C)[C@H]....
68 1JK3 - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
69 3LIR Ki = 119 nM EEC C22 H26 N4 O8 c1ccc(cc1)....
70 3TS4 Ki = 1.9 nM EEG C29 H31 N3 O7 S c1ccc(cc1)....
71 3KEJ Ki = 75.9 nM 3EJ C22 H17 F N6 O3 c1cc(cc(c1....
72 4L19 Ki = 0.8 uM 1UA C15 H16 N2 O S Cc1ccc(cc1....
73 5BOT ic50 = 39 uM 4UM C12 H12 N2 O3 CCOC(=O)c1....
74 3KRY Kd < 0.1 nM 3KR C22 H23 F3 N2 O7 S COCCN1CCC(....
75 1XUD ic50 = 8 nM PB4 C22 H20 F2 N4 O2 Cc1cc(ccc1....
76 3I7I ic50 = 620 nM 518 C29 H29 N3 O5 CNC(=O)[C@....
77 3WV1 ic50 = 0.0039 nM WHH C26 H22 F N3 O6 COc1cccc(c....
78 5BPA ic50 = 0.001 uM 4UF C24 H22 N4 O5 CCOC(=O)c1....
79 4JPA ic50 = 3.3 nM AZ6 C21 H23 N7 O5 S C[C@]1(C(=....
80 5B5O ic50 = 1900 nM WMM C12 H11 N5 S2 c1ccc(cc1)....
81 2OW9 ic50 = 30 nM SP6 C21 H16 N2 O4 S c1ccc(cc1)....
82 3ELM ic50 = 0.5 nM 24F C23 H30 N2 O7 S2 CCOc1ccc(c....
83 1CXV - CBP C19 H20 Cl N O6 S c1cc(ccc1O....
84 4A7B - 3W5 C27 H30 N2 O5 S c1cc(ccc1C....
85 3WV2 ic50 = 12 nM WGG C17 H15 N3 O3 COc1cccc(c....
86 4JP4 - AZ4 C19 H23 F4 N7 O5 S c1c(cnc(n1....
87 2OZR ic50 = 0.67 nM GG1 C26 H20 N2 O4 CN1c2ccc(c....
88 5UWK ic50 = 2.3 nM 8OM C25 H27 N3 O5 S2 CC(C)[C@@H....
89 1YOU ic50 = 0.87 nM PFD C20 H19 F N2 O6 CCOCCC1(C(....
90 830C Ki = 0.52 nM RS1 C19 H20 Cl N O6 S c1cc(ccc1O....
91 5BOY ic50 = 2.5 uM 4UE C15 H15 N3 O2 CCOC(=O)c1....
92 3I7G ic50 = 430 nM 732 C20 H23 Cl N2 O3 CNC(=O)[C@....
93 1XUC ic50 = 72 nM PB3 C22 H22 N4 O2 Cc1cccc(c1....
94 1ZTQ ic50 = 1.3 nM 033 C26 H24 N2 O6 S CC(C)[C@@H....
95 456C Ki = 0.17 nM CBP C19 H20 Cl N O6 S c1cc(ccc1O....
96 1XUR ic50 = 6600 nM PB5 C18 H16 N6 O2 c1cc(cnc1)....
97 2D1N Ki = 0.007 uM FA4 C24 H42 N6 O3 [H]/N=C(/N....
98 3KEC ic50 = 130 nM 3KE C24 H21 N5 O4 COc1ccc(cc....
99 5UWM ic50 = 356 nM 8OA C25 H28 N4 O4 S CC(C)[C@H]....
100 3TVC Ki = 18 nM E3P C26 H26 N2 O4 c1ccc(cc1)....
101 3ZXH - E41 C20 H28 N2 O4 S CC(C)CCN([....
102 3KEK Ki = 4.4 nM 3EK C24 H26 F N5 O3 Cc1cc(cc(n....
103 3WV3 ic50 = 24 nM WLL C15 H13 N3 O3 S COc1cccc(c....
104 2YIG ic50 = 79.4 nM 5EL C28 H27 N3 O3 c1cc(ccc1C....
105 5B5P ic50 = 0.2 nM WNN C20 H18 N6 O3 S c1ccc2c(c1....
106 3LJZ Ki = 7.3 nM LA3 C27 H26 N2 O6 c1ccc2c(c1....
107 1MNC - PLH C18 H27 N3 O4 CC(C)C[C@H....
108 3DPE ic50 = 57 nM AXB C24 H21 N5 O6 S2 c1cc2c(cc1....
109 1I76 - BSI C22 H19 N O4 S c1ccc(cc1)....
110 1ZP5 ic50 = 1200 uM 2NI C17 H17 N3 O3 CN(CCOc1cc....
111 1JAP - PRO LEU GLY HOA n/a n/a
112 2OY2 - ILE ALA GLY n/a n/a
113 1I73 - PRO LEU PAT n/a n/a
114 3DNG ic50 = 7.4 nM AXA C22 H21 N5 O5 S c1cc2c(cc1....
115 1JAO Ki = 1.2 uM 0D3 C15 H21 N3 O3 S NULL
116 1ZS0 Ki = 0.7 uM EIN C17 H22 N O6 P S CC(C)[C@@H....
117 1BZS ic50 = 10 nM BSI C22 H19 N O4 S c1ccc(cc1)....
118 1JAQ Ki = 33 uM 01S C12 H22 N4 O5 NULL
119 1KBC - HLE RIN n/a n/a
120 1JAN - PRO LEU GLY HOA n/a n/a
121 5H8X ic50 = 3.1 uM 7FY C18 H15 N O4 S c1ccc(cc1)....
122 1MMB - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
123 3DPF - AXB C24 H21 N5 O6 S2 c1cc2c(cc1....
124 1JJ9 ic50 = 1700 nM BBT C17 H21 N3 O4 c1ccc(cc1)....
125 1ZVX Ki = 0.6 nM FIN C17 H22 N O6 P S CC(C)[C@H]....
126 3TT4 Ki = 5.3 nM E1S C19 H22 N2 O4 S Cc1ccc(s1)....
127 1GKD - STN BUM n/a n/a
128 2OW0 - 6MR C23 H19 I N2 O4 S c1ccc2c(c1....
129 4WZV ic50 = 0.43 nM E40 C28 H29 N3 O8 S CC(C)ON([C....
130 2OVX - 4MR C24 H22 N6 O4 c1ccc(cc1)....
131 2OW1 - 7MR C16 H15 F3 N2 O5 S c1ccc(cc1)....
132 2OVZ - 5MR C30 H29 N4 O5 P c1ccc(cc1)....
133 1CGL Ki = 135 nM 0ED C33 H47 N5 O7 NULL
134 966C Ki = 23 nM RS2 C19 H21 N O6 S c1ccc(cc1)....
135 2TCL ic50 = 9 nM RO4 C19 H35 N3 O6 CCOC(=O)[C....
136 1HFC - PLH C18 H27 N3 O4 CC(C)C[C@H....
137 1Q3A - NGH C13 H20 N2 O5 S CC(C)C[N@]....
50% Homology Family (154)
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 3EHX Ki = 25 nM BDL C18 H21 N O4 S CC(C)C[C@H....
48 2HU6 Kd = 154 uM 37A C20 H21 N3 O5 c1ccc(cc1)....
49 3N2V - JT5 C16 H18 N2 O5 S c1ccc(cc1)....
50 3F18 Kd = 29.5 nM HS5 C10 H11 F N2 O5 S c1cc(ccc1F....
51 4GR8 Ki = 14.7 nM R4C C25 H28 Br N4 O6 P C[C@@H](C(....
52 3F15 Kd = 7.88 nM HS1 C12 H16 N2 O7 S COc1ccc(cc....
53 2OXZ - ILE ALA GLY n/a n/a
54 3LIK Ki = 1.92 nM EEG C29 H31 N3 O7 S c1ccc(cc1)....
55 5I43 - 67M C37 H47 N5 O13 S CC(C)[C@H]....
56 3F17 Kd = 2.36 nM HS4 C14 H12 N2 O4 S c1ccc(cc1)....
57 5D2B - 56O C30 H32 Cl N5 O10 c1cc(cc(c1....
58 2WO8 ic50 = 0.52 uM 077 C17 H18 O3 c1ccc(cc1)....
59 1OS2 - HAE C2 H5 N O2 CC(=O)NO
60 4GR0 Ki = 0.28 nM R4B C31 H31 Br Cl N4 O6 P C[C@@H](C(....
61 2WOA ic50 = 1.15 uM 576 C18 H18 O3 c1ccc-2c(c....
62 3LK8 Kd = 19.7 nM Z79 C9 H12 N2 O5 S COc1ccc(cc....
63 5L79 Ki = 0.9 nM R47 6PJ n/a n/a
64 3F1A Kd = 61.1 nM HS7 C8 H8 N2 O4 S c1ccc(cc1)....
65 2WO9 ic50 = 0.062 uM 068 C19 H20 O4 CC(=O)c1cc....
66 3LJG Ki = 18.6 nM EEF C25 H29 N3 O7 c1ccc(cc1)....
67 5I3M - 67F C28 H38 N4 O9 S2 CC(C)[C@@H....
68 1RMZ - NGH C13 H20 N2 O5 S CC(C)C[N@]....
69 3LIL Ki = 8.3 nM EEA C28 H29 Cl N4 O8 c1cc(cc(c1....
70 4I03 - L88 C58 H66 N4 O11 S2 c1ccc(cc1)....
71 1ROS ic50 = 0.0017 uM DEO C28 H25 N O6 CCOc1ccc(c....
72 5CXA - 55L C30 H31 Cl N4 O10 c1cc(cc(c1....
73 5I2Z - V24 C34 H41 N5 O12 S CC(C)[C@H]....
74 1JK3 - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
75 3LIR Ki = 119 nM EEC C22 H26 N4 O8 c1ccc(cc1)....
76 3TS4 Ki = 1.9 nM EEG C29 H31 N3 O7 S c1ccc(cc1)....
77 3KEJ Ki = 75.9 nM 3EJ C22 H17 F N6 O3 c1cc(cc(c1....
78 4L19 Ki = 0.8 uM 1UA C15 H16 N2 O S Cc1ccc(cc1....
79 5BOT ic50 = 39 uM 4UM C12 H12 N2 O3 CCOC(=O)c1....
80 3KRY Kd < 0.1 nM 3KR C22 H23 F3 N2 O7 S COCCN1CCC(....
81 1XUD ic50 = 8 nM PB4 C22 H20 F2 N4 O2 Cc1cc(ccc1....
82 3I7I ic50 = 620 nM 518 C29 H29 N3 O5 CNC(=O)[C@....
83 3WV1 ic50 = 0.0039 nM WHH C26 H22 F N3 O6 COc1cccc(c....
84 5BPA ic50 = 0.001 uM 4UF C24 H22 N4 O5 CCOC(=O)c1....
85 4JPA ic50 = 3.3 nM AZ6 C21 H23 N7 O5 S C[C@]1(C(=....
86 5B5O ic50 = 1900 nM WMM C12 H11 N5 S2 c1ccc(cc1)....
87 2OW9 ic50 = 30 nM SP6 C21 H16 N2 O4 S c1ccc(cc1)....
88 3ELM ic50 = 0.5 nM 24F C23 H30 N2 O7 S2 CCOc1ccc(c....
89 1CXV - CBP C19 H20 Cl N O6 S c1cc(ccc1O....
90 4A7B - 3W5 C27 H30 N2 O5 S c1cc(ccc1C....
91 3WV2 ic50 = 12 nM WGG C17 H15 N3 O3 COc1cccc(c....
92 4JP4 - AZ4 C19 H23 F4 N7 O5 S c1c(cnc(n1....
93 2OZR ic50 = 0.67 nM GG1 C26 H20 N2 O4 CN1c2ccc(c....
94 5UWK ic50 = 2.3 nM 8OM C25 H27 N3 O5 S2 CC(C)[C@@H....
95 1YOU ic50 = 0.87 nM PFD C20 H19 F N2 O6 CCOCCC1(C(....
96 830C Ki = 0.52 nM RS1 C19 H20 Cl N O6 S c1cc(ccc1O....
97 5BOY ic50 = 2.5 uM 4UE C15 H15 N3 O2 CCOC(=O)c1....
98 3I7G ic50 = 430 nM 732 C20 H23 Cl N2 O3 CNC(=O)[C@....
99 1XUC ic50 = 72 nM PB3 C22 H22 N4 O2 Cc1cccc(c1....
100 1ZTQ ic50 = 1.3 nM 033 C26 H24 N2 O6 S CC(C)[C@@H....
101 456C Ki = 0.17 nM CBP C19 H20 Cl N O6 S c1cc(ccc1O....
102 1XUR ic50 = 6600 nM PB5 C18 H16 N6 O2 c1cc(cnc1)....
103 2D1N Ki = 0.007 uM FA4 C24 H42 N6 O3 [H]/N=C(/N....
104 3KEC ic50 = 130 nM 3KE C24 H21 N5 O4 COc1ccc(cc....
105 5UWM ic50 = 356 nM 8OA C25 H28 N4 O4 S CC(C)[C@H]....
106 3TVC Ki = 18 nM E3P C26 H26 N2 O4 c1ccc(cc1)....
107 3ZXH - E41 C20 H28 N2 O4 S CC(C)CCN([....
108 3KEK Ki = 4.4 nM 3EK C24 H26 F N5 O3 Cc1cc(cc(n....
109 3WV3 ic50 = 24 nM WLL C15 H13 N3 O3 S COc1cccc(c....
110 2YIG ic50 = 79.4 nM 5EL C28 H27 N3 O3 c1cc(ccc1C....
111 5B5P ic50 = 0.2 nM WNN C20 H18 N6 O3 S c1ccc2c(c1....
112 3LJZ Ki = 7.3 nM LA3 C27 H26 N2 O6 c1ccc2c(c1....
113 1MNC - PLH C18 H27 N3 O4 CC(C)C[C@H....
114 3DPE ic50 = 57 nM AXB C24 H21 N5 O6 S2 c1cc2c(cc1....
115 1I76 - BSI C22 H19 N O4 S c1ccc(cc1)....
116 1ZP5 ic50 = 1200 uM 2NI C17 H17 N3 O3 CN(CCOc1cc....
117 1JAP - PRO LEU GLY HOA n/a n/a
118 2OY2 - ILE ALA GLY n/a n/a
119 1I73 - PRO LEU PAT n/a n/a
120 3DNG ic50 = 7.4 nM AXA C22 H21 N5 O5 S c1cc2c(cc1....
121 1JAO Ki = 1.2 uM 0D3 C15 H21 N3 O3 S NULL
122 1ZS0 Ki = 0.7 uM EIN C17 H22 N O6 P S CC(C)[C@@H....
123 1BZS ic50 = 10 nM BSI C22 H19 N O4 S c1ccc(cc1)....
124 1JAQ Ki = 33 uM 01S C12 H22 N4 O5 NULL
125 1KBC - HLE RIN n/a n/a
126 1JAN - PRO LEU GLY HOA n/a n/a
127 5H8X ic50 = 3.1 uM 7FY C18 H15 N O4 S c1ccc(cc1)....
128 1MMB - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
129 3DPF - AXB C24 H21 N5 O6 S2 c1cc2c(cc1....
130 1JJ9 ic50 = 1700 nM BBT C17 H21 N3 O4 c1ccc(cc1)....
131 1ZVX Ki = 0.6 nM FIN C17 H22 N O6 P S CC(C)[C@H]....
132 3TT4 Ki = 5.3 nM E1S C19 H22 N2 O4 S Cc1ccc(s1)....
133 1MMQ Ki = 0.03 uM RRS C25 H36 N4 O4 CC(C)C[C@H....
134 2Y6C ic50 = 50 uM TQI C18 H14 Cl F3 N2 O4 S c1ccc2c(c1....
135 1MMP Ki = 0.85 uM RSS C25 H35 N3 O4 CC(C)C[C@H....
136 1MMR Ki = 4 uM SRS C25 H39 N5 O2 S CC(C)C[C@H....
137 4JQG - 8MC PRO LEU GLY PFF DNW ALA ARG NH2 n/a n/a
138 1GKC - NFH C15 H29 N3 O4 CC(C)C[C@H....
139 5I12 ic50 = 1200 nM H27 C34 H42 N4 O12 S2 CC(C)[C@H]....
140 1GKD - STN BUM n/a n/a
141 2OW0 - 6MR C23 H19 I N2 O4 S c1ccc2c(c1....
142 4WZV ic50 = 0.43 nM E40 C28 H29 N3 O8 S CC(C)ON([C....
143 2OVX - 4MR C24 H22 N6 O4 c1ccc(cc1)....
144 4JIJ - 8MC PRO LEU GLY PHI DNW ALA ARG NH2 n/a n/a
145 4XCT ic50 = 6.7 nM N73 C20 H26 N2 O5 S CC(C)[C@H]....
146 2OW1 - 7MR C16 H15 F3 N2 O5 S c1ccc(cc1)....
147 2OVZ - 5MR C30 H29 N4 O5 P c1ccc(cc1)....
148 1CGL Ki = 135 nM 0ED C33 H47 N5 O7 NULL
149 966C Ki = 23 nM RS2 C19 H21 N O6 S c1ccc(cc1)....
150 2TCL ic50 = 9 nM RO4 C19 H35 N3 O6 CCOC(=O)[C....
151 1HFC - PLH C18 H27 N3 O4 CC(C)C[C@H....
152 5UE4 Kd = 3.3 uM 5XQ C16 H16 N4 O2 S2 Cc1c(sc(n1....
153 1RM8 - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
154 1Q3A - NGH C13 H20 N2 O5 S CC(C)C[N@]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NGH; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 NGH 1 1
2 NHK 0.631579 0.893333
3 HS1 0.492308 0.818182
4 D3X 0.45679 0.797619
5 Z79 0.409836 0.864865
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1HFS; Ligand: L04; Similar sites found: 278
This union binding pocket(no: 1) in the query (biounit: 1hfs.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.00003423 0.59191 None
2 3KO0 TFP 0.001111 0.49839 None
3 1UO5 PIH 0.003244 0.49392 None
4 3F8C HT1 0.0003503 0.49006 None
5 2O66 FLC 0.00176 0.45824 None
6 1H8G CHT 0.0258 0.44199 None
7 2E1A MSE 0.006204 0.42311 None
8 2WCI GSH 0.01219 0.41999 None
9 2BOI MFU 0.01256 0.41453 None
10 1Y75 NAG 0.01101 0.41245 None
11 2FR6 URI 0.003129 0.40975 None
12 2PR5 FMN 0.003444 0.40825 None
13 2BVE PH5 0.04258 0.40718 None
14 2FR6 CTN 0.005569 0.40069 None
15 1A5Z OXM 0.01382 0.43454 1.25
16 1XX4 BAM 0.0009597 0.50232 1.875
17 1FW1 GSH 0.001137 0.43889 1.875
18 1RZM E4P 0.01499 0.42662 1.875
19 1RZM PEP 0.02091 0.40473 1.875
20 1Y2W NAG 0.0004511 0.49258 2.11268
21 3EW2 BTN 0.00575 0.42452 2.22222
22 4JCA CIT 0.0003783 0.53476 2.5
23 1YHM AHD 0.005362 0.43625 2.5
24 1B5E DCM 0.003059 0.43622 2.5
25 3I51 45C 0.003548 0.42391 2.5
26 3AQT RCO 0.04097 0.40849 2.5
27 3CQ5 PMP 0.01767 0.40363 2.5
28 2IMF GSH 0.001668 0.40195 2.5
29 2IMF TOM 0.001668 0.40195 2.5
30 3BY8 MLT 0.01273 0.4301 2.8169
31 1NU4 MLA 0.01358 0.46216 3.09278
32 2XDQ MGX 0.001437 0.49311 3.125
33 5MX4 HPA 0.01118 0.46458 3.125
34 3F81 STT 0.008689 0.45201 3.125
35 2Q37 3AL 0.003128 0.44689 3.125
36 3P7I P7I 0.003508 0.43896 3.125
37 1KTC NGA 0.003519 0.4389 3.125
38 4PTZ FMN 0.0007092 0.43743 3.125
39 3DG6 MUC 0.002221 0.42751 3.125
40 3HW5 AMP 0.02047 0.42344 3.125
41 1EYE PMM 0.004331 0.42043 3.125
42 1J78 OLA 0.01308 0.41723 3.125
43 4C2C ALA ALA ALA 0.02476 0.41665 3.125
44 4LN7 1ZQ 0.002579 0.41664 3.125
45 3GX0 GDS 0.001579 0.41662 3.125
46 2YVF FAD 0.0009528 0.41509 3.125
47 4PB2 5UD 0.002399 0.41392 3.125
48 1MZV AMP 0.00815 0.41357 3.125
49 1CKM GTP 0.002519 0.40947 3.125
50 2Y7G AAE 0.006938 0.40431 3.125
51 4K30 NLG 0.02257 0.40325 3.125
52 3DER ALA LYS 0.003017 0.40325 3.125
53 1KYQ NAD 0.005382 0.40123 3.125
54 4M4Q 21A 0.001816 0.40078 3.125
55 3I7V B4P 0.0009518 0.42738 3.73134
56 4DR9 BB2 0.00004869 0.5278 3.75
57 4COQ SAN 0.0001123 0.52092 3.75
58 4B9E FAH 0.0005848 0.49525 3.75
59 3TKA CTN 0.004431 0.47919 3.75
60 2NVK NAP 0.003417 0.43946 3.75
61 2NCD ADP 0.005175 0.43695 3.75
62 1SBR VIB 0.01214 0.43411 3.75
63 4OB6 S2T 0.001544 0.42919 3.75
64 1Q11 TYE 0.005879 0.42909 3.75
65 2GWD GLU 0.004549 0.42887 3.75
66 1ZJ6 G3D 0.002916 0.42734 3.75
67 4I9B 1KA 0.03577 0.42469 3.75
68 1SQ5 ADP 0.003935 0.42211 3.75
69 3IHB GLU 0.02268 0.42199 3.75
70 2FH5 GTP 0.001246 0.42024 3.75
71 2HNK SAH 0.001427 0.41816 3.75
72 3TKA SAM 0.001153 0.41761 3.75
73 4JHG ZEA 0.004291 0.41227 3.75
74 1WDA BAG 0.01117 0.41219 3.75
75 1SQ5 PAU 0.01446 0.41182 3.75
76 4LSJ LSJ 0.00001088 0.41181 3.75
77 1NNS ASP 0.01086 0.40838 3.75
78 1F1V DHY 0.01622 0.40523 3.75
79 1T10 F6P 0.03114 0.40132 3.75
80 2C2A ADP 0.006974 0.4006 3.75
81 3PC3 P1T 0.003733 0.40007 3.75
82 4F4S EFO 0.01404 0.41239 3.94737
83 4EXO PYR 0.001303 0.48642 4.10959
84 5RHN 8BR 0.002349 0.42224 4.34783
85 1RL4 BRR 0.00007293 0.55277 4.375
86 4GAA BES 0.0008324 0.46929 4.375
87 1GJW GLC 0.003291 0.45875 4.375
88 4N7C AEF 0.004583 0.45175 4.375
89 4RJK PYR 0.006343 0.45168 4.375
90 2Z9V PXM 0.001882 0.45086 4.375
91 1A8S PPI 0.001083 0.44722 4.375
92 4LHM AZZ 0.006183 0.43343 4.375
93 3DBK RDF 0.00363 0.43129 4.375
94 3MAG 3MA 0.02971 0.43062 4.375
95 1VE3 SAM 0.0009615 0.42827 4.375
96 4JWX 1N4 0.00661 0.42684 4.375
97 4DYO SD4 0.00528 0.4261 4.375
98 1RL4 BL5 0.01506 0.42316 4.375
99 3ZPG 5GP 0.03149 0.4224 4.375
100 2Y7P SAL 0.01169 0.4159 4.375
101 2RCN GDP 0.01003 0.40982 4.375
102 3A2Y TS5 0.00404 0.40941 4.375
103 1EB9 HBA 0.009032 0.40756 4.375
104 4EBZ NAG NAG NAG NAG 0.0424 0.40094 4.375
105 1N9L FMN 0.002792 0.41154 4.58716
106 1BTN I3P 0.0004143 0.5515 4.71698
107 2YLD CMO 0.001224 0.47223 4.72441
108 3UEC ALA ARG TPO LYS 0.005803 0.44675 4.79452
109 2VWA PTY 0.02785 0.42281 4.9505
110 2ZL4 ALA ALA ALA ALA 0.002211 0.47806 5
111 2OKL BB2 0.001034 0.46038 5
112 4K90 MLA 0.01162 0.44307 5
113 2Q1A 2KT 0.006677 0.4376 5
114 3MD0 GDP 0.003121 0.43585 5
115 1G8S MET 0.01034 0.42865 5
116 1QS8 IVA VAL VAL STA ALA STA 0.001515 0.42113 5
117 3I8P 840 0.003117 0.41756 5
118 1B4P GPS 0.002318 0.41446 5
119 2DT5 NAD 0.0003034 0.40856 5
120 1TDF NAP 0.002669 0.40738 5
121 3GM5 CIT 0.02735 0.40865 5.03145
122 1TUV VK3 0.0235 0.42916 5.26316
123 1GU3 BGC BGC BGC BGC BGC 0.001341 0.45733 5.36913
124 2QLX RM4 0.00538 0.44835 5.55556
125 3Q2H QHF 0.0000002728 0.61903 5.625
126 1Y1A GSH 0.0004366 0.54475 5.625
127 3R51 MMA 0.002072 0.48477 5.625
128 1O9U ADZ 0.008577 0.45231 5.625
129 1MXI SAH 0.0003482 0.4442 5.625
130 3SIX GDP 0.001739 0.43638 5.625
131 2FEQ 34P 0.0007847 0.4358 5.625
132 3B6R CRN 0.01009 0.43474 5.625
133 4V3I ASP LEU THR ARG PRO 0.01585 0.4335 5.625
134 2A2X NA9 0.0007945 0.43126 5.625
135 1Z44 NPO 0.04092 0.43031 5.625
136 2Q8H TF4 0.01719 0.4179 5.625
137 1A27 EST 0.003346 0.41639 5.625
138 1XE7 GUN 0.04251 0.41542 5.625
139 4JP3 CIT 0.006439 0.41349 5.625
140 3SHR CMP 0.008519 0.41277 5.625
141 2RHQ GAX 0.001627 0.40895 5.625
142 3HB5 E2B 0.001192 0.40662 5.625
143 1I2L DCS 0.003912 0.40273 5.625
144 4MOB ADP 0.007073 0.40216 5.625
145 3UWB BB2 0.003657 0.42098 5.84416
146 3RF4 FUN 0.00171 0.45269 6.03448
147 4WKI 3PW 0.00000005449 0.68669 6.25
148 1PEA ACM 0.002118 0.47576 6.25
149 1QO0 BMD 0.002207 0.4602 6.25
150 3LTW HLZ 0.004413 0.44606 6.25
151 3QV9 QV7 0.006002 0.43402 6.25
152 4NAO AKG 0.01401 0.42806 6.25
153 2QCX PF1 0.009963 0.42399 6.25
154 2ZYF AKG 0.005968 0.42383 6.25
155 3BHO B4P 0.03956 0.42369 6.25
156 1FWM CB3 0.01358 0.41514 6.25
157 1QDS PGA 0.007817 0.41432 6.25
158 4Q0A 4OA 0.002714 0.41198 6.25
159 1W7J ADP BEF 0.004225 0.40869 6.25
160 3P3N AKG 0.02794 0.40821 6.25
161 3N7S 3N7 0.03967 0.40707 6.25
162 1ZS6 ADP 0.01478 0.40697 6.25
163 3TFC PEP 0.02089 0.40474 6.25
164 2YC5 6BC 0.0003829 0.40385 6.25
165 1Y42 TYR 0.02365 0.40235 6.25
166 2ZSC BTN 0.00303 0.42223 6.38298
167 2IYG FMN 0.0006871 0.45259 6.45161
168 1SS4 GSH 0.002887 0.50699 6.53595
169 2FOI JPA 0.001839 0.44036 6.66667
170 1Q1Y BB2 0.000255 0.49901 6.80628
171 1R55 097 0.0000001962 0.67896 6.875
172 3E3U NVC 0.0001264 0.51378 6.875
173 4L7I SAM 0.001157 0.42955 6.875
174 1K6M AGS 0.0007724 0.42359 6.875
175 3I0O SMI 0.01171 0.42079 6.875
176 3W8S GSH 0.01291 0.41885 6.875
177 1I0Z OXM 0.04002 0.41683 6.875
178 1MOQ GLP 0.003788 0.40675 6.875
179 3EF0 ALF 0.03835 0.40566 6.875
180 4JE7 BB2 0.01397 0.40455 6.875
181 5DRN 5CT 0.03121 0.42592 6.94444
182 1SJW NGV 0.002524 0.42106 6.94444
183 1LNX URI 0.0007084 0.46952 7.40741
184 1JH7 UVC 0.0176 0.41271 7.40741
185 3G5K BB2 0.0006936 0.47305 7.5
186 2ZWS PLM 0.01199 0.46126 7.5
187 3HY9 098 0.00000189 0.45469 7.5
188 1H0C AOA 0.004203 0.45358 7.5
189 2HFK E4H 0.003372 0.43972 7.5
190 2QV7 ADP 0.002917 0.41866 7.5
191 3RK0 AMP 0.005677 0.41569 7.5
192 2ZJ5 ADP 0.01687 0.41355 7.5
193 1EJH M7G 0.03429 0.41279 7.5
194 3GTD MLI 0.01863 0.41157 7.5
195 1OCU PIB 0.02713 0.40923 7.5
196 4NTX AMR 0.007302 0.42749 7.56302
197 3QDY A2G GAL 0.007065 0.44931 7.69231
198 3QDT A2G GAL 0.0195 0.42693 7.69231
199 3QDY CBS 0.01657 0.42449 7.69231
200 1YP1 LYS ASN LEU 0.000000009102 0.76107 8.125
201 2FV5 541 0.0000001085 0.5735 8.125
202 1G27 BB1 0.00004573 0.51779 8.125
203 4WVH ASP HIS ASP ALA HIS ALA 0.00082 0.4606 8.125
204 2EB5 OXL 0.003315 0.4519 8.125
205 2WGC SIA GAL BGC 0.03056 0.43771 8.125
206 2JBH 5GP 0.004975 0.4272 8.125
207 1U5R ATP 0.002238 0.42305 8.125
208 4DD8 BAT 0.0000002014 0.42197 8.125
209 2Y6P CTP 0.006778 0.41689 8.125
210 3V91 UPG 0.001073 0.415 8.125
211 4E28 9MZ 0.02494 0.41055 8.125
212 2WMO GTP 0.008686 0.40431 8.125
213 2YCD GTB 0.01286 0.40136 8.125
214 3KJQ B94 0.002045 0.43354 8.42105
215 2OFE NAG 0.004515 0.4456 8.4507
216 1ULE GLA GAL NAG 0.01399 0.42245 8.66667
217 1BKC INN 0.00000003828 0.6943 8.75
218 1S17 GNR 0.00002632 0.52871 8.75
219 4IXW IXW 0.007001 0.42087 8.75
220 3PLN U5P 0.01678 0.40896 8.75
221 1ZX5 LFR 0.03471 0.40714 8.75
222 1UF5 CDT 0.01726 0.4 8.75
223 1YOA FMN 0.02162 0.44645 8.80503
224 2V5E SCR 0.007319 0.46421 8.91089
225 2J83 BAT 0.00004911 0.51116 9.375
226 3K3G MMU 0.00136 0.46013 9.375
227 3E5P PPI 0.01744 0.44012 9.375
228 4AR8 IP8 GLY PRO ALA 0.03157 0.4192 9.375
229 4WB7 ATP 0.008749 0.40612 9.375
230 3JQ3 ADP 0.01409 0.40368 9.375
231 1KUK PCA LYS TRP 0.0000004671 0.44422 10
232 2VDJ HSE 0.01658 0.43052 10
233 3CF6 SP1 0.002716 0.41984 10
234 1QZZ SAM 0.006368 0.4096 10
235 4F8L GAL 0.009193 0.4679 10.3448
236 4AIG FLX 0.000000112 0.68107 10.625
237 1ATL 0QI 0.00000003926 0.52392 10.625
238 3BP1 GUN 0.03466 0.41473 10.625
239 4C6F DOR 0.008245 0.41336 10.625
240 4C6F NCD 0.008245 0.41336 10.625
241 1E4E ADP 0.003337 0.40874 10.625
242 1S8F GDP 0.01021 0.40155 10.625
243 2W14 WR2 0.0000001237 0.65973 11.25
244 1T0S BML 0.006441 0.45134 11.25
245 1V6A TRE 0.003852 0.44278 11.25
246 1TV5 ORO 0.00272 0.41778 11.25
247 5XHA FRU FRU 0.008475 0.41286 11.25
248 4DN8 BMA 0.0379 0.40189 11.5385
249 1QD0 RR6 0.0007739 0.45051 11.7188
250 3S9K CIT 0.01247 0.46832 11.8644
251 2Q28 ADP 0.002781 0.40795 11.875
252 3H9E NAD 0.001021 0.40234 11.875
253 3ZF8 GDP 0.01625 0.40109 11.875
254 3ZVS MLI 0.000001579 0.63081 12.5
255 1WRA PC 0.0006943 0.49163 12.5
256 2PVQ GSH 0.001115 0.43015 12.5
257 3DGB MUC 0.009724 0.40626 12.5
258 1WS1 BB2 0.0001695 0.50209 12.8205
259 1LQY BB2 0.0001967 0.49386 13.125
260 3KMT SAH 0.00286 0.42321 13.4454
261 1P1M MET 0.002106 0.40518 14.375
262 2F2U M77 0.001349 0.44594 15.625
263 3O2K DST 0.006489 0.42719 15.625
264 4KCT PYR 0.002619 0.4391 16.25
265 4KCT FDP 0.003606 0.42363 16.25
266 3VOZ 04A 0.005789 0.40361 16.875
267 3B9Z CO2 0.01051 0.4452 17.5
268 2C5S AMP 0.002912 0.43714 17.5
269 4OHB 5HM 0.004196 0.41264 17.5
270 4M5P MLA 0.003168 0.48418 18.125
271 4M5P 23W 0.01201 0.43764 18.125
272 4M5P FMN 0.0009504 0.42049 18.125
273 2FYU FDN 0.005589 0.40064 21.4286
274 2JFV FLC 0.0353 0.40337 25
275 1ECM TSA 0.00009712 0.50009 25.6881
276 2IZ1 ATR 0.01965 0.41546 26.875
277 1XIU REA 0.005311 0.405 33.3333
278 3HBV ALA LYS ALA SER GLN ALA ALA 0.000002104 0.60798 34.375
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