Receptor
PDB id Resolution Class Description Source Keywords
4x8u 2.1 Å EC: 3.4.21.21 FACTOR VIIA IN COMPLEX WITH THE INHIBITOR 5-CHLORO-1H-INDOLE CARBOXYLIC ACID HOMO SAPIENS GLYCOPROTEIN HYDROLASE SERINE PROTEASE PLASMA BLOOD COAGFACTOR PROTEIN INHIBITOR COMPLEX CALCIUM- BINDING HYDROLHYDROLASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF NOVEL P1 GROUPS FOR COAGULATION FACTOR INHIBITION USING FRAGMENT-BASED SCREENING. J.MED.CHEM. V. 58 2799 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 H:304;
H:305;
H:306;
H:303;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
CA H:302;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
GOL H:307;
H:308;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
3ZB H:301;
 Valid;
 none;
 Ki = 3.5 mM
195.602 C9 H6 Cl N O2 c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L2Z 1.79 Å EC: 3.4.21.21 FACTOR VIIA IN COMPLEX WITH THE INHIBITOR 1-[(2R,15R)-2-[(1- FLUOROISOQUINOLIN-6-YL)AMINO]-4,15,17-TRIMETHYL-3,12-DIOXO-1 1-DIAZATRICYCLO[14.2.2.1~6,10~]HENICOSA-1(18),6(21),7,9,16HE XAEN-7-YL]CYCLOHEXANE-1-CARBOXYLIC ACID HOMO SAPIENS GLYCOPROTEIN HYDROLASE SERINE PROTEASE PLASMA BLOOD COAGFACTOR PROTEIN INHIBITOR COMPLEX CALCIUM-BINDING HYDROLAHYDROLASE INHIBITOR COMPLEX
Ref.: SYNTHESIS AND P1' SAR EXPLORATION OF POTENT MACROCY TISSUE FACTOR-FACTOR VIIA INHIBITORS. BIOORG.MED.CHEM.LETT. V. 26 5051 2016
Members (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5TQG Ki = 0.24 nM 7KS C34 H34 F3 N5 O5 S C[C@@H]1CC....
2 4X8V Ki = 130 nM 3Z9 C34 H40 N4 O8 S CC(C)S(=O)....
3 4X8T Ki = 8.9 mM 3Z8 C9 H8 Cl N O c1cc2c(cc1....
4 5TQE Ki = 190 nM 7KQ C31 H31 N5 O5 S CN1Cc2cc(c....
5 4JZE ic50 = 0.007 uM 1NK C30 H31 N5 O6 CC(C)(C)[C....
6 1W7X Ki = 0.004 uM 413 C31 H30 N4 O5 COc1cc(ccc....
7 4X8U Ki = 3.5 mM 3ZB C9 H6 Cl N O2 c1cc2c(cc1....
8 4JYU Ki = 10 nM 1OK C28 H30 N4 O5 S CCOc1cc(cc....
9 4ISI Ki = 7.3 nM 1GG C24 H31 Cl N6 O2 [H]/N=C(/c....
10 4JZD ic50 = 0.005 uM 1NJ C28 H31 N5 O6 [H]/N=C(c1....
11 5I46 - 67O C30 H30 F N5 O4 Cc1cc2ccc1....
12 4X8S Ki = 13 mM 3Z7 C7 H7 Br O2 COc1cc(ccc....
13 5L2Z Ki = 0.06 nM 70C C37 H40 F N5 O5 Cc1cc2ccc1....
14 5U6J Ki = 23 nM 82J C31 H36 N4 O6 S CCc1cc2ccc....
15 4ZXY Ki = 400 nM 4T1 C28 H27 N5 O2 c1cc2cc(c1....
16 5L2Y Ki = 0.14 nM 70D C35 H36 F N5 O5 Cc1cc2ccc1....
17 4JYV Ki = 17 nM 1OJ C28 H30 N4 O7 S2 CCOc1cc(cc....
18 4YT7 Ki = 1.7 nM 4K1 C29 H31 F N6 O3 [H]/N=C(c1....
19 4NA9 Ki = 41 nM 1T7 C29 H26 N4 O2 [H]/N=C(c1....
20 4JZF ic50 = 0.175 uM 1NL C28 H30 N4 O7 CC(C)(C)[C....
21 5TQF Ki < 5 nM 7KR C31 H31 N5 O4 S CN1Cc2cc(c....
22 2BZ6 Ki = 0.081 uM 346 C21 H24 F N3 O5 [H]/N=C(c1....
23 4ISH Ki = 1.9 nM 1GE C31 H27 N3 O4 [H]/N=C(c1....
24 4YT6 Ki = 11 nM 4JY C28 H30 F N5 O2 [H]/N=C(c1....
25 5L30 - 70A C34 H35 N9 O3 Cc1cc2ccc1....
70% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5TQG Ki = 0.24 nM 7KS C34 H34 F3 N5 O5 S C[C@@H]1CC....
2 4X8V Ki = 130 nM 3Z9 C34 H40 N4 O8 S CC(C)S(=O)....
3 4X8T Ki = 8.9 mM 3Z8 C9 H8 Cl N O c1cc2c(cc1....
4 5TQE Ki = 190 nM 7KQ C31 H31 N5 O5 S CN1Cc2cc(c....
5 4JZE ic50 = 0.007 uM 1NK C30 H31 N5 O6 CC(C)(C)[C....
6 1W7X Ki = 0.004 uM 413 C31 H30 N4 O5 COc1cc(ccc....
7 4X8U Ki = 3.5 mM 3ZB C9 H6 Cl N O2 c1cc2c(cc1....
8 4JYU Ki = 10 nM 1OK C28 H30 N4 O5 S CCOc1cc(cc....
9 4ISI Ki = 7.3 nM 1GG C24 H31 Cl N6 O2 [H]/N=C(/c....
10 4JZD ic50 = 0.005 uM 1NJ C28 H31 N5 O6 [H]/N=C(c1....
11 5I46 - 67O C30 H30 F N5 O4 Cc1cc2ccc1....
12 4X8S Ki = 13 mM 3Z7 C7 H7 Br O2 COc1cc(ccc....
13 5L2Z Ki = 0.06 nM 70C C37 H40 F N5 O5 Cc1cc2ccc1....
14 5U6J Ki = 23 nM 82J C31 H36 N4 O6 S CCc1cc2ccc....
15 4ZXY Ki = 400 nM 4T1 C28 H27 N5 O2 c1cc2cc(c1....
16 5L2Y Ki = 0.14 nM 70D C35 H36 F N5 O5 Cc1cc2ccc1....
17 4JYV Ki = 17 nM 1OJ C28 H30 N4 O7 S2 CCOc1cc(cc....
18 4YT7 Ki = 1.7 nM 4K1 C29 H31 F N6 O3 [H]/N=C(c1....
19 4NA9 Ki = 41 nM 1T7 C29 H26 N4 O2 [H]/N=C(c1....
20 4JZF ic50 = 0.175 uM 1NL C28 H30 N4 O7 CC(C)(C)[C....
21 5TQF Ki < 5 nM 7KR C31 H31 N5 O4 S CN1Cc2cc(c....
22 2BZ6 Ki = 0.081 uM 346 C21 H24 F N3 O5 [H]/N=C(c1....
23 4ISH Ki = 1.9 nM 1GE C31 H27 N3 O4 [H]/N=C(c1....
24 4YT6 Ki = 11 nM 4JY C28 H30 F N5 O2 [H]/N=C(c1....
25 5L30 - 70A C34 H35 N9 O3 Cc1cc2ccc1....
26 1YGC Ki = 0.35 nM 905 C25 H28 F N5 O6 S [H]/N=C(/c....
27 1KLI - BEN C7 H8 N2 [H]/N=C(c1....
50% Homology Family (129)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3IIT ic50 = 9.5 nM D14 C26 H29 Cl N6 O3 S C[N@@]1Cc2....
2 2Q1J ic50 = 0.0008 uM FXI C28 H29 Cl F N3 O4 S CCCCN(C(=O....
3 2VVC - LZF C23 H22 Cl F N4 O4 S CO[C@H]1C[....
4 3KQC Ki = 2.2 nM LGK C28 H21 F3 N6 O4 S CS(=O)(=O)....
5 2P95 Ki = 0.43 nM ME5 C22 H20 Cl N3 O3 S c1cc(ccc1C....
6 2Y5F Ki = 2 nM XWG C25 H32 Cl N4 O4 S c1cc(sc1c2....
7 2W26 Ki = 0.4 nM RIV C19 H18 Cl N3 O5 S c1cc(ccc1N....
8 2XC4 Ki = 0.009 uM IVK C25 H21 Cl F4 N4 O3 c1cc(ccc1N....
9 3FFG Ki = 0.84 nM FFG C32 H28 F3 N7 O3 c1ccc(c(c1....
10 2P3U - 663 C23 H18 Cl3 N5 O3 S Cn1ccnc1Cc....
11 2FZZ Ki = 30 pM 5QC C31 H27 F3 N6 O3 c1ccc(c(c1....
12 3KQE Ki = 8.1 nM LGM C32 H31 N7 O2 Cc1c2c(n(n....
13 2P93 Ki = 1.5 nM ME1 C19 H16 Cl N3 O3 S c1cc(ccc1C....
14 3M37 - M37 C24 H19 F4 N5 O3 S c1ccc(c(c1....
15 2W3K ic50 = 0.08 nM L1D C29 H24 Cl F N4 O4 c1ccc(cc1)....
16 1MQ6 Ki = 7 pM XLD C23 H20 Cl3 N5 O4 S CN(Cc1csc(....
17 2VWM - LZI C27 H27 Cl F N5 O4 S c1cc(c(cc1....
18 1Z6E Ki = 0.19 nM IK8 C24 H20 F4 N8 O2 CN(C)Cc1nc....
19 2BQ7 Ki = 89 nM IID C25 H31 N3 O2 CC(C)N1CCC....
20 5K0H - 6PK C27 H31 N5 O5 S [H]/N=C(c1....
21 3KL6 ic50 = 3.5 nM 443 C22 H26 Cl N3 O5 S c1cc(cc2c1....
22 2XBV Kd = 3.7 nM XBV C24 H21 Cl F3 N5 O3 c1cc(c(cc1....
23 2RA0 Ki = 15.9 nM JNJ C27 H22 F2 N8 O2 CN(C)Cc1nc....
24 2BOK Ki = 0.28 uM 784 C22 H32 N5 O2 C[N+](C)(C....
25 2XBY - 63C C26 H25 Cl F N5 O4 CNC(=O)CN1....
26 2W3I ic50 = 0.1 nM L1C C28 H22 Cl F2 N5 O4 c1cc(ccc1N....
27 2PR3 ic50 = 0.16 nM 237 C26 H25 Cl F N3 O5 S CO[C@@H]1C....
28 2VWL - LZH C23 H22 Cl F N4 O4 S c1cc(c(cc1....
29 2P3T Ki = 0.005 nM 993 C23 H19 Cl3 N6 O3 S CNc1nccn1C....
30 3LIW Ki = 0.025 uM RUP C29 H37 N5 O2 c1ccc(cc1)....
31 3Q3K ic50 = 7.4 nM D90 C23 H20 Cl N5 O2 S C[N@@]1CCc....
32 2PHB ic50 = 0.32 nM 230 C24 H22 Cl F N4 O4 CO[C@@H]1C....
33 2Y5G Ki = 146 nM FJD C22 H28 Cl N4 O3 S C[N+](C)(C....
34 2XC5 Ki = 0.062 uM OYJ C24 H21 Cl F2 N4 O5 S CS(=O)(=O)....
35 2XBW Ki = 0.01 uM 455 C23 H21 Cl F N5 O5 S c1cc(ccc1N....
36 3CS7 Ki = 0.021 nM LG0 C28 H29 F3 N4 O2 COc1ccc(cc....
37 2EI6 ic50 = 16 nM D92 C23 H26 Cl N5 O2 S C[N@@]1CCc....
38 2XC0 Ki = 0.192 uM 8NC C25 H24 F2 N4 O6 S COc1ccc(cc....
39 2JKH Ki = 9 nM BI7 C22 H28 Cl N4 O3 S C[N+](C)(C....
40 3M36 - M35 C25 H20 F4 N4 O3 S CS(=O)(=O)....
41 3KQB Ki = 0.5 nM LGJ C26 H18 F4 N6 O4 S CS(=O)(=O)....
42 2VWO - LZG C22 H19 Cl F2 N4 O3 S c1cc(c(cc1....
43 1FJS Ki = 0.11 nM Z34 C25 H24 F2 N6 O5 [H]/N=C(c1....
44 2D1J - D01 C20 H17 Cl N4 O4 S2 c1cc2c(cc(....
45 2EI7 ic50 = 16 nM D93 C23 H26 Cl N5 O2 S C[N@@]1CCc....
46 2P16 Ki = 0.08 nM GG2 C25 H25 N5 O4 COc1ccc(cc....
47 2Y5H Ki = 1620 nM Y5H C22 H28 Cl N4 O3 S C[N+](C)(C....
48 1MQ5 Ki = 1 nM XLC C24 H23 Cl3 N4 O2 S CN1CCN(CC1....
49 2VWN - H25 C22 H20 Cl F N4 O4 S c1cc(c(cc1....
50 2XBX Ki = 0.015 uM RR8 C24 H22 Cl F N4 O5 S CS(=O)(=O)....
51 2VVU - H22 C22 H20 Cl F N4 O3 S c1cc(c(cc1....
52 2P94 Ki = 0.67 nM ME4 C27 H25 Cl N4 O3 c1cc(ccc1C....
53 2VVV - H21 C20 H14 Cl F N6 O3 S c1cc(c(cc1....
54 2G00 Ki = 0.18 nM 4QC C29 H26 F3 N5 O2 CN(C)Cc1cc....
55 1V3X ic50 = 24 nM D76 C23 H24 Cl N5 O4 S2 C[N@@]1CCc....
56 3CEN Ki = 5.5 nM FXA C23 H17 Cl N4 O4 S c1ccc(c(c1....
57 6X5P ic50 = 30 nM UQD C18 H16 Cl N5 O [H]/N=C(c1....
58 4ZAE Ki = 3.6 nM 4M1 C26 H22 Cl2 N6 O Cc1cc2c(cc....
59 5TNT ic50 = 4.9 nM 7GQ C22 H20 Cl2 N8 O2 Cc1ncn(n1)....
60 5EGM Ki = 2.4 nM 5NY C29 H24 Cl N9 O Cc1ccc2c(c....
61 6X5L ic50 = 44 nM UQG C18 H17 N5 O [H]/N=C(c1....
62 4Z0K Ki = 0.462 uM 4LN C22 H22 N6 O2 Cc1ccc(c2n....
63 3LC3 Ki = 5.9 uM IYX C17 H18 N2 O2 S COc1ccc(cc....
64 4YZU Ki = 9 uM 4K6 C20 H20 N6 O Cc1cc2c(cc....
65 2BOH Ki = 3 nM IIA C25 H27 Cl N4 O2 S CC(C)N1CCC....
66 2J38 Ki = 47 nM GS5 C19 H22 Cl N3 O5 S2 C[C@@H](C(....
67 1F0R Ki = 22 nM 815 C21 H19 N5 O3 S2 c1cc2c(cc(....
68 2Y7Z Ki = 2 nM C0Z C25 H26 Cl N3 O3 S CN(C)[C@H]....
69 1NFX Ki = 3 nM RDR C22 H21 Cl N4 O4 S2 c1cc(cc2c1....
70 2VH6 Ki = 0.2 nM GSV C23 H22 Cl F N2 O5 S3 CS(=O)(=O)....
71 2Y81 Ki = 2 nM 931 C24 H23 Cl F N3 O3 S c1cc(cc2c1....
72 1NFY Ki = 1.3 nM RTR C20 H19 Cl N4 O3 S2 c1cc(ccc1C....
73 2J4I Ki = 1 nM GSJ C23 H31 Cl N4 O6 S2 CC(C)N(CCN....
74 2UWO Ki = 2 nM 701 C18 H24 Cl N3 O5 S2 C[C@@H](C(....
75 2J2U Ki = 90 nM GSQ C19 H23 Cl N4 O5 S C[C@@H](C(....
76 2Y7X Ki = 1.3 nM MZA C23 H21 Cl F N3 O3 S c1cc(cc2c1....
77 4Y79 Ki = 11 nM 4O6 C19 H24 Cl N3 O5 S C[C@@H](C(....
78 1LPG Ki = 82 nM IMA C34 H36 N5 O2 C[N+](C)(C....
79 2J94 Ki = 534 nM G15 C17 H21 Cl N6 O5 S2 C[C@@H](C(....
80 2CJI Ki = 6 nM GSK C21 H24 Cl N3 O5 S C[C@@H](C(....
81 1LPZ Ki = 25 nM CMB C25 H22 Cl2 N4 O Cc1cccc2c1....
82 2Y80 Ki = 9 nM 439 C25 H26 Cl N3 O3 S CN(C)[C@@H....
83 2UWL Ki = 4 nM 895 C17 H22 Cl N3 O5 S2 C[C@@H](C(....
84 2WYJ Ki = 1 nM 898 C20 H23 Cl F N3 O3 S2 C[C@@H](c1....
85 2UWP Ki = 154 nM 894 C17 H24 Cl N3 O5 S2 C[C@@H](C(....
86 4Y76 - 4O1 C25 H32 Cl N5 O5 S C[C@@H](C(....
87 2J34 Ki = 15 nM GS6 C19 H22 Cl N3 O5 S2 C[C@@H](C(....
88 1F0S Ki = 18 nM PR2 C19 H17 N5 O3 S2 c1cc2c(cc(....
89 1NFW Ki = 1.1 nM RRR C18 H17 Cl N4 O3 S2 c1cc(sc1C=....
90 2J95 Ki = 4 nM GSX C19 H22 Cl N3 O5 S3 C[C@@H](C(....
91 5TQG Ki = 0.24 nM 7KS C34 H34 F3 N5 O5 S C[C@@H]1CC....
92 4X8V Ki = 130 nM 3Z9 C34 H40 N4 O8 S CC(C)S(=O)....
93 4X8T Ki = 8.9 mM 3Z8 C9 H8 Cl N O c1cc2c(cc1....
94 5TQE Ki = 190 nM 7KQ C31 H31 N5 O5 S CN1Cc2cc(c....
95 4JZE ic50 = 0.007 uM 1NK C30 H31 N5 O6 CC(C)(C)[C....
96 1W7X Ki = 0.004 uM 413 C31 H30 N4 O5 COc1cc(ccc....
97 4X8U Ki = 3.5 mM 3ZB C9 H6 Cl N O2 c1cc2c(cc1....
98 4JYU Ki = 10 nM 1OK C28 H30 N4 O5 S CCOc1cc(cc....
99 4ISI Ki = 7.3 nM 1GG C24 H31 Cl N6 O2 [H]/N=C(/c....
100 4JZD ic50 = 0.005 uM 1NJ C28 H31 N5 O6 [H]/N=C(c1....
101 5I46 - 67O C30 H30 F N5 O4 Cc1cc2ccc1....
102 4X8S Ki = 13 mM 3Z7 C7 H7 Br O2 COc1cc(ccc....
103 5L2Z Ki = 0.06 nM 70C C37 H40 F N5 O5 Cc1cc2ccc1....
104 5U6J Ki = 23 nM 82J C31 H36 N4 O6 S CCc1cc2ccc....
105 4ZXY Ki = 400 nM 4T1 C28 H27 N5 O2 c1cc2cc(c1....
106 5L2Y Ki = 0.14 nM 70D C35 H36 F N5 O5 Cc1cc2ccc1....
107 4JYV Ki = 17 nM 1OJ C28 H30 N4 O7 S2 CCOc1cc(cc....
108 4YT7 Ki = 1.7 nM 4K1 C29 H31 F N6 O3 [H]/N=C(c1....
109 4NA9 Ki = 41 nM 1T7 C29 H26 N4 O2 [H]/N=C(c1....
110 4JZF ic50 = 0.175 uM 1NL C28 H30 N4 O7 CC(C)(C)[C....
111 5TQF Ki < 5 nM 7KR C31 H31 N5 O4 S CN1Cc2cc(c....
112 2BZ6 Ki = 0.081 uM 346 C21 H24 F N3 O5 [H]/N=C(c1....
113 4ISH Ki = 1.9 nM 1GE C31 H27 N3 O4 [H]/N=C(c1....
114 4YT6 Ki = 11 nM 4JY C28 H30 F N5 O2 [H]/N=C(c1....
115 5L30 - 70A C34 H35 N9 O3 Cc1cc2ccc1....
116 6MV4 - PBZ C7 H10 N3 c1cc(ccc1C....
117 3K9X ic50 = 4 nM MBM C28 H32 N6 O4 Cc1cc2cc(c....
118 1G2L Ki = 57 nM T87 C29 H31 N7 O3 [H]/N=C(/c....
119 3SW2 Ki = 4.71 nM FI1 C28 H29 Cl N4 O5 S c1cc(cc2c1....
120 1XKB Ki = 131 nM 4PP C23 H24 N4 O2 c1cc(cc(c1....
121 1XKA Ki = 131 nM 4PP C23 H24 N4 O2 c1cc(cc(c1....
122 4BTU ic50 = 0.5 nM 6XS C24 H28 Cl2 F N5 O5 S2 CN1CCN(CC1....
123 4BTI ic50 = 0.2 nM 7R9 C26 H32 Cl F2 N5 O6 S2 CN(C)[C@H]....
124 3HPT Ki = 6.5 nM YET C23 H28 N6 O3 Cc1cc2cc(c....
125 3ENS ic50 = 8.9 nM ENS C25 H29 Cl N6 O4 COC(=O)C(=....
126 1WU1 ic50 = 18 nM D91 C26 H27 Cl N6 O3 S CC(C)C[C@@....
127 4A7I Ki = 0.002 uM A7I C15 H24 Cl N3 O3 S2 CC(C)N1CCC....
128 1YGC Ki = 0.35 nM 905 C25 H28 F N5 O6 S [H]/N=C(/c....
129 1KLI - BEN C7 H8 N2 [H]/N=C(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3ZB; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 3ZB 1 1
2 4BY 0.531915 0.827586
3 ICB 0.456522 0.857143
Similar Ligands (3D)
Ligand no: 1; Ligand: 3ZB; Similar ligands found: 931
No: Ligand Similarity coefficient
1 4BL 0.9954
2 UNJ 0.9951
3 BZ2 0.9780
4 428 0.9765
5 5LA 0.9756
6 6KT 0.9694
7 J6W 0.9690
8 ESP 0.9680
9 ESX 0.9640
10 QIV 0.9562
11 6FZ 0.9562
12 JBZ 0.9559
13 MSR 0.9549
14 3R4 0.9547
15 9R5 0.9539
16 4WL 0.9530
17 8NX 0.9520
18 NAG 0.9519
19 Y3L 0.9518
20 363 0.9510
21 1F1 0.9503
22 ZEC 0.9500
23 SNO 0.9496
24 SNU 0.9495
25 LQ2 0.9492
26 9ZE 0.9488
27 6FB 0.9482
28 CPZ 0.9478
29 PPY 0.9476
30 0JD 0.9473
31 15N 0.9473
32 JB8 0.9473
33 E1T 0.9466
34 AN3 0.9464
35 F4E 0.9454
36 GO2 0.9453
37 4I8 0.9452
38 12T 0.9451
39 2HC 0.9450
40 E7S 0.9447
41 36E 0.9437
42 XCG 0.9436
43 S0W 0.9434
44 0HO 0.9433
45 8ZE 0.9433
46 F4K 0.9429
47 6NT 0.9429
48 0HN 0.9427
49 JA5 0.9424
50 P80 0.9421
51 4ZA 0.9420
52 XIY 0.9419
53 HPP 0.9417
54 4NB 0.9417
55 GZ2 0.9415
56 PPT 0.9415
57 8NB 0.9415
58 N91 0.9415
59 JAW 0.9409
60 68A 0.9407
61 HC4 0.9407
62 SLS 0.9406
63 JDN 0.9399
64 AES 0.9394
65 GJP 0.9392
66 ESI 0.9392
67 TCA 0.9391
68 TYL 0.9391
69 KTW 0.9391
70 2ZM 0.9388
71 3QV 0.9379
72 X48 0.9379
73 344 0.9378
74 TMG 0.9376
75 CFA 0.9376
76 27B 0.9375
77 TZF 0.9375
78 ANN 0.9374
79 3A9 0.9371
80 0NX 0.9371
81 4BZ 0.9369
82 A7N 0.9367
83 5TY 0.9366
84 EVF 0.9363
85 HHS 0.9361
86 MQN 0.9358
87 P81 0.9358
88 4YO 0.9356
89 RA7 0.9356
90 L14 0.9353
91 2HU 0.9350
92 CWJ 0.9348
93 C82 0.9346
94 36Y 0.9344
95 VGD 0.9343
96 CH9 0.9342
97 2K8 0.9341
98 15E 0.9340
99 4P5 0.9340
100 VC3 0.9334
101 I3E 0.9331
102 3VX 0.9330
103 1M2 0.9330
104 EN1 0.9330
105 A5E 0.9329
106 2QC 0.9329
107 GF4 0.9326
108 IWT 0.9325
109 X0U 0.9324
110 A7H 0.9324
111 P9E 0.9324
112 4JQ 0.9323
113 C1M 0.9320
114 4RU 0.9319
115 BPY 0.9317
116 XIZ 0.9316
117 2BG 0.9316
118 JAH 0.9316
119 5VM 0.9316
120 1HN 0.9313
121 8WO 0.9312
122 ENO 0.9311
123 6SD 0.9311
124 0TU 0.9311
125 L22 0.9311
126 S0E 0.9310
127 795 0.9305
128 NFM 0.9304
129 94W 0.9302
130 RNO 0.9301
131 5NI 0.9300
132 YZM 0.9300
133 549 0.9300
134 MP5 0.9298
135 PH2 0.9298
136 92G 0.9297
137 HNT 0.9297
138 ABI 0.9294
139 6NI 0.9294
140 FBB 0.9289
141 EUE 0.9288
142 PNZ 0.9287
143 PO6 0.9284
144 5OO 0.9284
145 ES2 0.9282
146 3NY 0.9281
147 N2I 0.9281
148 BP7 0.9279
149 K3D 0.9277
150 1P8 0.9277
151 PRL 0.9276
152 7VP 0.9275
153 HHR 0.9270
154 3VS 0.9264
155 14W 0.9263
156 ALE 0.9261
157 N4E 0.9257
158 BGU 0.9257
159 HX4 0.9256
160 R20 0.9255
161 E5X 0.9252
162 CLW 0.9249
163 BNL 0.9248
164 LNR 0.9247
165 36R 0.9247
166 LO1 0.9246
167 JA8 0.9246
168 4LW 0.9244
169 61M 0.9244
170 D3G 0.9244
171 1A7 0.9243
172 SKF 0.9240
173 8XL 0.9238
174 K2T 0.9236
175 BPN 0.9232
176 GVY 0.9231
177 JG8 0.9230
178 9CA 0.9227
179 FDR 0.9226
180 G14 0.9226
181 492 0.9221
182 TGX 0.9221
183 HRM 0.9220
184 S60 0.9219
185 ET2 0.9219
186 9FL 0.9217
187 6QF 0.9215
188 OQC 0.9214
189 TYR 0.9213
190 JCZ 0.9209
191 3AE 0.9209
192 CXH 0.9208
193 LR5 0.9208
194 AJG 0.9207
195 K82 0.9206
196 4XF 0.9205
197 KDV 0.9204
198 SWX 0.9203
199 XDK 0.9202
200 FBF 0.9202
201 0W1 0.9202
202 HQJ 0.9201
203 3VQ 0.9201
204 6RQ 0.9200
205 E3X 0.9199
206 259 0.9199
207 EXD 0.9197
208 6TZ 0.9196
209 S7J 0.9194
210 HA5 0.9194
211 MPV 0.9193
212 EE8 0.9191
213 N1E 0.9190
214 1IT 0.9190
215 HCI 0.9189
216 5GT 0.9188
217 BZ3 0.9187
218 4V2 0.9186
219 FF2 0.9185
220 PH3 0.9184
221 P7Y 0.9184
222 K4V 0.9181
223 AOT 0.9181
224 GNM 0.9177
225 V1T 0.9175
226 PIM 0.9174
227 7FU 0.9170
228 ANC 0.9169
229 A29 0.9169
230 7O4 0.9168
231 IAC 0.9168
232 M3H 0.9167
233 J1K 0.9166
234 HJH 0.9166
235 AM4 0.9163
236 MAJ 0.9162
237 J9Q 0.9161
238 4NZ 0.9160
239 KTJ 0.9160
240 80G 0.9159
241 C53 0.9157
242 L03 0.9156
243 PJW 0.9153
244 BQ2 0.9147
245 8HC 0.9144
246 0BP 0.9143
247 TT4 0.9143
248 PIY 0.9139
249 0FK 0.9138
250 ARP 0.9135
251 5OB 0.9134
252 AMH 0.9134
253 KMY 0.9134
254 ZZA 0.9133
255 5XC 0.9133
256 8WT 0.9133
257 L99 0.9131
258 JLZ 0.9128
259 INO 0.9128
260 DHC 0.9126
261 4NM 0.9124
262 4FA 0.9124
263 FQX 0.9121
264 IOP 0.9120
265 2FX 0.9119
266 L5V 0.9118
267 ANF 0.9115
268 FHC 0.9115
269 JP2 0.9114
270 4CM 0.9114
271 97T 0.9113
272 APS 0.9111
273 KYA 0.9110
274 B1J 0.9110
275 S0D 0.9110
276 ZYR 0.9109
277 0FR 0.9109
278 HDH 0.9109
279 KJU 0.9107
280 9FE 0.9107
281 AA 0.9105
282 5QY 0.9105
283 EYV 0.9104
284 5GV 0.9102
285 OTR 0.9099
286 IOS 0.9098
287 3W8 0.9097
288 2A9 0.9096
289 M4S 0.9096
290 S7S 0.9095
291 HJ7 0.9094
292 LL1 0.9094
293 FZM 0.9093
294 6ME 0.9092
295 7MU 0.9090
296 DHB 0.9090
297 LDP 0.9090
298 ODK 0.9089
299 THA 0.9088
300 CK2 0.9087
301 K25 0.9086
302 1L5 0.9086
303 BZJ 0.9084
304 TWO 0.9082
305 4JE 0.9080
306 BZE 0.9077
307 717 0.9076
308 9BF 0.9074
309 1Z6 0.9074
310 BIK 0.9072
311 UA5 0.9071
312 M78 0.9070
313 ZSP 0.9067
314 XAZ 0.9066
315 5RO 0.9066
316 CK1 0.9064
317 1FE 0.9062
318 88L 0.9062
319 K7H 0.9061
320 F02 0.9061
321 J9N 0.9060
322 8U3 0.9060
323 657 0.9058
324 SN4 0.9056
325 4FF 0.9055
326 HIC 0.9054
327 N2M 0.9053
328 4HB 0.9052
329 7MW 0.9052
330 EWG 0.9051
331 R9Y 0.9050
332 5GU 0.9050
333 F9Y 0.9049
334 STX 0.9048
335 JND 0.9047
336 4NC 0.9047
337 MS9 0.9045
338 0UL 0.9045
339 DQU 0.9043
340 N8Y 0.9041
341 ST3 0.9039
342 D2G 0.9036
343 GVG 0.9035
344 AX3 0.9035
345 GWM 0.9035
346 DDU 0.9034
347 52C 0.9032
348 NNO 0.9031
349 4A3 0.9029
350 2FY 0.9029
351 HBO 0.9028
352 DE5 0.9025
353 PHE 0.9025
354 3HM 0.9022
355 42J 0.9019
356 GO8 0.9019
357 QUS 0.9019
358 36M 0.9017
359 78Y 0.9015
360 FHB 0.9014
361 RCV 0.9012
362 44V 0.9012
363 DHR 0.9010
364 2HO 0.9010
365 ST2 0.9010
366 4JC 0.9010
367 NFA 0.9009
368 5TZ 0.9009
369 AMR 0.9009
370 D48 0.9009
371 RYV 0.9007
372 1FD 0.9007
373 069 0.9007
374 J5I 0.9006
375 ZHA 0.9005
376 2F6 0.9005
377 30G 0.9004
378 3PF 0.9003
379 F31 0.9003
380 LEL 0.9003
381 268 0.9003
382 9NB 0.9002
383 2HQ 0.9000
384 N0Z 0.9000
385 9TW 0.8999
386 IV2 0.8997
387 YRL 0.8995
388 N2Z 0.8994
389 93K 0.8994
390 833 0.8992
391 H4B 0.8991
392 M4E 0.8989
393 IHB 0.8989
394 CHB 0.8988
395 H4E 0.8988
396 OTW 0.8987
397 LR8 0.8987
398 92P 0.8986
399 A5P 0.8985
400 HHI 0.8985
401 4NP 0.8978
402 G3E 0.8978
403 NCT 0.8977
404 A98 0.8976
405 4BF 0.8976
406 SYV 0.8976
407 FER 0.8976
408 4TU 0.8975
409 SE2 0.8975
410 DPN 0.8975
411 AJ1 0.8973
412 S7A 0.8973
413 DAH 0.8972
414 QBP 0.8971
415 4FE 0.8969
416 56D 0.8967
417 BBK 0.8967
418 DRG 0.8967
419 KBZ 0.8966
420 EZL 0.8965
421 AJY 0.8965
422 R2P 0.8964
423 HIS 0.8964
424 M5H 0.8964
425 AZM 0.8964
426 4NS 0.8962
427 8W9 0.8962
428 2PV 0.8962
429 ODO 0.8961
430 5JL 0.8960
431 MYJ 0.8960
432 PFF 0.8960
433 5JQ 0.8960
434 5TT 0.8959
435 C2Y 0.8958
436 N3W 0.8958
437 PLP 0.8957
438 4MB 0.8956
439 P9P 0.8955
440 AX7 0.8955
441 H42 0.8955
442 6Q3 0.8954
443 9UL 0.8953
444 M45 0.8952
445 0F9 0.8951
446 ZYX 0.8951
447 86J 0.8950
448 XHP 0.8949
449 2D2 0.8949
450 2FQ 0.8949
451 IS2 0.8949
452 DTY 0.8949
453 PAB 0.8948
454 H5B 0.8947
455 A2G 0.8946
456 FUD 0.8946
457 5VL 0.8944
458 4AA 0.8943
459 YTX 0.8939
460 FTV 0.8939
461 2GQ 0.8937
462 GDL 0.8934
463 BEA 0.8933
464 4LV 0.8931
465 3W3 0.8930
466 3W6 0.8930
467 MVN 0.8929
468 44W 0.8928
469 ONR 0.8928
470 ERZ 0.8926
471 5F5 0.8926
472 0FN 0.8926
473 NDG 0.8926
474 6P3 0.8925
475 E1K 0.8925
476 VM1 0.8923
477 URC 0.8923
478 1VK 0.8923
479 BTY 0.8922
480 SG2 0.8922
481 GB5 0.8921
482 B62 0.8920
483 F2W 0.8919
484 MTL 0.8918
485 03V 0.8918
486 PQK 0.8917
487 8TX 0.8913
488 86L 0.8913
489 2O6 0.8913
490 TSS 0.8913
491 ABV 0.8911
492 DVQ 0.8911
493 XX2 0.8911
494 3J8 0.8911
495 HSX 0.8910
496 RD4 0.8910
497 NDD 0.8910
498 0FO 0.8909
499 8D6 0.8909
500 PUE 0.8908
501 OW7 0.8908
502 ITE 0.8904
503 4UM 0.8904
504 VNL 0.8904
505 2P3 0.8900
506 75K 0.8900
507 KLE 0.8899
508 JRB 0.8899
509 II4 0.8898
510 URO 0.8897
511 P92 0.8896
512 ES5 0.8893
513 E4P 0.8893
514 AMS 0.8892
515 JB5 0.8892
516 KYN 0.8892
517 BVA 0.8892
518 B55 0.8890
519 BNF 0.8889
520 4FS 0.8889
521 IQ5 0.8888
522 GB4 0.8888
523 4SX 0.8888
524 PZM 0.8888
525 PHU 0.8887
526 MR1 0.8885
527 PEY 0.8884
528 TCR 0.8884
529 AY4 0.8884
530 6L6 0.8883
531 1ZC 0.8882
532 2BX 0.8882
533 VFG 0.8881
534 CIY 0.8880
535 3XR 0.8879
536 2JX 0.8879
537 2MI 0.8879
538 NGA 0.8879
539 HBI 0.8878
540 H2B 0.8878
541 S98 0.8878
542 28A 0.8878
543 NPO 0.8877
544 S2P 0.8877
545 BIO 0.8876
546 5F8 0.8876
547 SSC 0.8875
548 HBD 0.8875
549 X0V 0.8874
550 L15 0.8874
551 8IG 0.8871
552 QSB 0.8870
553 PHB 0.8869
554 MD6 0.8869
555 CSN 0.8867
556 2AQ 0.8866
557 OVM 0.8865
558 COU 0.8865
559 VXX 0.8865
560 KLS 0.8864
561 I2E 0.8864
562 0SY 0.8863
563 ISZ 0.8863
564 HFA 0.8862
565 A6W 0.8862
566 2PK 0.8861
567 PRA 0.8861
568 FCD 0.8860
569 LUM 0.8859
570 HL4 0.8858
571 OCH 0.8858
572 4MA 0.8858
573 54X 0.8858
574 2J1 0.8856
575 39O 0.8856
576 DNF 0.8855
577 27K 0.8855
578 A6P 0.8854
579 NIZ 0.8853
580 KW8 0.8852
581 AEF 0.8851
582 ZYQ 0.8850
583 AKG 0.8849
584 6HO 0.8847
585 B56 0.8846
586 8MO 0.8845
587 1X4 0.8844
588 1DR 0.8844
589 XQ0 0.8843
590 YPN 0.8843
591 P4L 0.8841
592 Z82 0.8841
593 PNP 0.8840
594 5H6 0.8839
595 2WU 0.8838
596 DPT 0.8838
597 173 0.8838
598 258 0.8837
599 ZRK 0.8836
600 GDE 0.8834
601 W81 0.8831
602 505 0.8827
603 SOR 0.8826
604 MXD 0.8824
605 YE7 0.8823
606 G6P 0.8820
607 RP3 0.8820
608 PBA 0.8820
609 SKM 0.8820
610 E0O 0.8819
611 4HM 0.8818
612 KOJ 0.8818
613 X6W 0.8818
614 GLP 0.8816
615 2KA 0.8816
616 BHO 0.8816
617 DUR 0.8816
618 M4T 0.8815
619 4AU 0.8815
620 DIN 0.8813
621 MZM 0.8812
622 NF3 0.8812
623 PBZ 0.8811
624 CFI 0.8810
625 F40 0.8809
626 PMP 0.8809
627 LZ5 0.8809
628 1Y6 0.8809
629 K37 0.8809
630 270 0.8808
631 OGA 0.8808
632 DNA 0.8806
633 4MU 0.8806
634 TRP 0.8806
635 GZL 0.8806
636 54Z 0.8805
637 TID 0.8804
638 AC6 0.8803
639 S2G 0.8801
640 PRF 0.8801
641 TZM 0.8801
642 CKA 0.8800
643 ZME 0.8799
644 GLO 0.8796
645 60L 0.8796
646 SW7 0.8796
647 5FL 0.8795
648 N7I 0.8793
649 X11 0.8792
650 A7W 0.8791
651 K44 0.8791
652 174 0.8790
653 3R6 0.8790
654 5SP 0.8789
655 GI3 0.8789
656 SQV 0.8789
657 826 0.8788
658 5E5 0.8788
659 A5H 0.8787
660 EQW 0.8785
661 7MX 0.8784
662 GNV 0.8782
663 5WV 0.8782
664 MRW 0.8782
665 2UZ 0.8781
666 0LO 0.8781
667 L1O 0.8781
668 J9T 0.8780
669 6MW 0.8779
670 STT 0.8778
671 ASC 0.8777
672 4XV 0.8777
673 EKZ 0.8777
674 4JT 0.8776
675 DHY 0.8776
676 KUF 0.8776
677 ICO 0.8776
678 3N1 0.8774
679 5RP 0.8772
680 3Y7 0.8772
681 JF1 0.8771
682 SJK 0.8768
683 WS7 0.8766
684 0XT 0.8765
685 P72 0.8765
686 Z13 0.8765
687 GOE 0.8763
688 GNY 0.8763
689 ROI 0.8763
690 PAC 0.8761
691 4G2 0.8760
692 1QV 0.8760
693 JTA 0.8759
694 DEZ 0.8758
695 TSU 0.8758
696 4FH 0.8758
697 4VY 0.8757
698 SRO 0.8757
699 M2K 0.8756
700 PKU 0.8755
701 IFP 0.8755
702 2HG 0.8755
703 CLZ 0.8753
704 AJV 0.8753
705 R52 0.8752
706 R5P 0.8752
707 QX4 0.8750
708 0N7 0.8750
709 DHK 0.8749
710 152 0.8748
711 K34 0.8748
712 5VU 0.8746
713 TTL 0.8746
714 FBS 0.8746
715 A5Q 0.8744
716 OLU 0.8744
717 QSH 0.8743
718 TJM 0.8743
719 PEA 0.8743
720 GJK 0.8741
721 CNI 0.8740
722 L1T 0.8739
723 3C4 0.8737
724 LT2 0.8736
725 3ID 0.8736
726 SHA 0.8735
727 4Z4 0.8734
728 GAL 0.8732
729 4M0 0.8731
730 PQ0 0.8731
731 JTH 0.8731
732 HNH 0.8729
733 209 0.8728
734 GHM 0.8727
735 YI6 0.8727
736 HX3 0.8726
737 QMP 0.8724
738 5RN 0.8724
739 3Z8 0.8723
740 UFO 0.8722
741 B5D 0.8721
742 4XS 0.8721
743 CTL 0.8720
744 AZ9 0.8720
745 SAN 0.8720
746 DOB 0.8720
747 CX6 0.8720
748 EMZ 0.8719
749 JF2 0.8718
750 FBM 0.8717
751 4J8 0.8717
752 AAN 0.8717
753 QBM 0.8716
754 BHQ 0.8715
755 M6P 0.8715
756 RVE 0.8714
757 FA0 0.8713
758 50C 0.8712
759 HQD 0.8709
760 DMD 0.8709
761 AHN 0.8708
762 BHA 0.8708
763 2EC 0.8706
764 650 0.8706
765 4KL 0.8704
766 HHH 0.8704
767 4Z1 0.8704
768 M6Z 0.8700
769 SSB 0.8700
770 QBK 0.8700
771 PIQ 0.8700
772 ENW 0.8698
773 QMS 0.8698
774 JMG 0.8698
775 LVD 0.8696
776 SKA 0.8696
777 TPA 0.8696
778 7W1 0.8695
779 Z5P 0.8695
780 E7Z 0.8694
781 ES7 0.8692
782 1XS 0.8692
783 YIE 0.8691
784 4CN 0.8689
785 4ME 0.8689
786 2JK 0.8689
787 G12 0.8688
788 2AK 0.8688
789 I3A 0.8687
790 HQT 0.8684
791 BDP 0.8681
792 20J 0.8679
793 7ME 0.8679
794 0P6 0.8679
795 RM1 0.8678
796 F9P 0.8678
797 3HG 0.8676
798 2J2 0.8676
799 9FH 0.8674
800 KJH 0.8673
801 6FG 0.8673
802 F5C 0.8672
803 MUA 0.8671
804 0F3 0.8669
805 OW4 0.8669
806 XM0 0.8668
807 XI7 0.8668
808 3SU 0.8668
809 KLV 0.8668
810 6ZW 0.8668
811 DCZ 0.8666
812 S62 0.8666
813 EA1 0.8665
814 CWS 0.8664
815 FGZ 0.8662
816 FA1 0.8662
817 GLC 0.8661
818 PD2 0.8660
819 8CC 0.8659
820 FMQ 0.8658
821 K7M 0.8658
822 NRA 0.8656
823 VFM 0.8656
824 5NU 0.8655
825 EUG 0.8655
826 5QX 0.8654
827 5CU 0.8653
828 NDH 0.8652
829 6VD 0.8652
830 EV2 0.8650
831 FCR 0.8650
832 92O 0.8649
833 YZ9 0.8648
834 LDC 0.8648
835 IPD 0.8648
836 IL5 0.8646
837 12Q 0.8645
838 F1X 0.8645
839 RES 0.8644
840 3DM 0.8644
841 KMH 0.8642
842 IPO 0.8641
843 TIY 0.8641
844 YE6 0.8640
845 JAE 0.8640
846 QMR 0.8639
847 B85 0.8639
848 0DF 0.8638
849 DEE 0.8638
850 DXK 0.8638
851 GXY 0.8636
852 RSV 0.8636
853 GLN 0.8634
854 RKV 0.8632
855 7W4 0.8632
856 CWM 0.8630
857 2B4 0.8629
858 OVP 0.8628
859 3VW 0.8627
860 TH7 0.8627
861 1WC 0.8626
862 FHV 0.8626
863 5WN 0.8625
864 DX3 0.8622
865 8CM 0.8620
866 Q71 0.8619
867 XRG 0.8618
868 ISN 0.8618
869 HRD 0.8617
870 2D0 0.8616
871 BPU 0.8614
872 5WT 0.8613
873 3D8 0.8613
874 3C5 0.8612
875 ES0 0.8611
876 Q88 0.8609
877 KKN 0.8608
878 H8N 0.8607
879 6DP 0.8605
880 BVS 0.8604
881 47V 0.8601
882 H33 0.8600
883 TR4 0.8600
884 PXL 0.8599
885 4XR 0.8597
886 7WR 0.8593
887 ADA 0.8593
888 1PS 0.8592
889 5V7 0.8591
890 HBA 0.8590
891 DK1 0.8589
892 CTE 0.8589
893 54E 0.8589
894 FP1 0.8588
895 PRZ 0.8588
896 11S 0.8586
897 Q02 0.8585
898 WV7 0.8585
899 K22 0.8582
900 MS0 0.8580
901 AMQ 0.8580
902 LFQ 0.8579
903 NOJ 0.8577
904 PZI 0.8576
905 9KZ 0.8574
906 8V8 0.8572
907 VGS 0.8572
908 CIT 0.8570
909 PDC 0.8560
910 9AP 0.8560
911 3PG 0.8560
912 3XH 0.8559
913 GTR 0.8558
914 K32 0.8555
915 CCU 0.8554
916 U7E 0.8554
917 EAE 0.8553
918 GAB 0.8548
919 X1R 0.8548
920 C4E 0.8543
921 PTS 0.8542
922 QWN 0.8541
923 HMH 0.8540
924 9CE 0.8539
925 V2Z 0.8538
926 LDR 0.8533
927 GCU 0.8531
928 K3Q 0.8527
929 FK1 0.8523
930 ES9 0.8521
931 1XA 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5L2Z; Ligand: 70C; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 5l2z.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1GJC 130 45.8498
2 1FIW PBZ 46.4567
3 1PQ7 ARG 47.3214
4 1OSS BEN 48.4305
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