Receptor
PDB id Resolution Class Description Source Keywords
5XHK 1.28 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE BRD2-BD2 IN COMPLEX WITH PHENANTHRI HOMO SAPIENS BROMODOMAIN BET FAMILY BRD2 PHENANTHRIDINONE TRANSCRIPTI
Ref.: INSIGHTS INTO THE CRYSTAL STRUCTURE OF BRD2-BD2 -PHENANTHRIDINONE COMPLEX AND THEORETICAL STUDIES ON PHENANTHRIDINONE ANALOGS. J. BIOMOL. STRUCT. DYN. V. 36 2342 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:502;
A:501;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
LDR A:504;
Valid;
Atoms found MORE than expected: % Diff = 2;
submit data
195.217 C13 H9 N O c1ccc...
2ME A:503;
Invalid;
none;
submit data
60.095 C3 H8 O CCOC
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6VIY 1.9 Å NON-ENZYME: OTHER BRD2_BROMODOMAIN2 COMPLEX WITH PYRROLOPYRIDONE COMPOUND 27 HOMO SAPIENS BROMODOMAIN SIGNALING PROTEIN
Ref.: DISCOVERY OFN-ETHYL-4-[2-(4-FLUORO-2,6-DIMETHYL-PHE -5-(1-HYDROXY-1-METHYL-ETHYL) PHENYL]-6-METHYL-7-OXO-1H-PYRROLO[2, 3-C]PYRIDINE-2-CARBOXAMIDE (ABBV-744), A BET BROMOD INHIBITOR WITH SELECTIVITY FOR THE SECOND BROMODOMA J.MED.CHEM.
Members (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5U6V ic50 = 21 nM 7WY C22 H19 Cl N6 Cc1c-2n(nn....
2 5O3A - 31P C23 H23 Cl N4 O3 CC[C@H]([C....
3 5DFD - 59E C23 H21 N5 O3 Cc1nnc2n1-....
4 5XHK - LDR C13 H9 N O c1ccc2c(c1....
5 5O3D - 9J5 C23 H23 Cl N4 O3 CC[C@H]([C....
6 6YTM Kd = 65 nM PMW C22 H25 Cl N4 O2 S CC[C@H]([C....
7 6VIY Ki = 1.1 nM QYY C27 H29 N3 O5 S CCNC(=O)c1....
8 5IG6 Kd = 213.7 uM 6B3 C27 H18 N2 O4 c1ccc2c(c1....
9 5O3G - 9J8 C25 H26 Cl N5 O2 CCNC(=O)[C....
10 4J1P Kd = 0.206 uM 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
11 5O3I - 9HN C27 H29 Cl N4 O3 Cc1nnc2n1-....
12 5UEW - 87D C20 H20 N2 O5 S CN1C=C(C(=....
13 5O3B - 9HZ C24 H23 Cl N4 O3 Cc1nnc2n1-....
14 5O3E - 9HW C23 H24 Cl N5 O2 CCNC(=O)[C....
15 3ONI - JQ1 C23 H26 Cl N4 O2 S Cc1c(sc-2c....
16 6K04 Ki = 3.1 nM CQF C22 H21 Cl N6 Cc1nnc2n1-....
17 5O39 - 31O C22 H21 Cl N4 O3 Cc1nnc2n1-....
18 5O3H - 9HQ C23 H24 Cl N5 O2 CCNC(=O)[C....
19 5O3C - 9J2 C22 H21 Cl N4 O3 Cc1nnc2n1-....
20 4MR6 - 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
21 6MOA Kd = 2.5 nM JW4 C25 H22 N4 O Cc1ccc2c(c....
22 5DW1 ic50 = 0.08 uM 5GD C24 H29 N3 O4 Cc1cc(cc(c....
23 5DFC - EAM C22 H22 Cl N5 O2 CCNC(=O)C[....
24 4MR5 - 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
25 5O3F - 9HT C24 H26 Cl N5 O2 CC[C@H]([C....
70% Homology Family (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4UYG Kd = 4.4 nM 73B C25 H23 Cl N2 O3 C[C@H]1C[C....
2 6C7Q - EO1 C25 H23 N7 O2 Cc1c(c(on1....
3 2YEM ic50 = 15.5 nM WSH C25 H21 N5 O2 Cc1nnc2n1-....
4 5JWM ic50 = 3.09 nM 6ON C54 H66 Cl2 N10 O9 S2 Cc1c(sc-2c....
5 5UOO Ki = 1.4 nM 8FV C26 H21 N5 O2 Cc1c(c(on1....
6 5DFD - 59E C23 H21 N5 O3 Cc1nnc2n1-....
7 5XHK - LDR C13 H9 N O c1ccc2c(c1....
8 5O3D - 9J5 C23 H23 Cl N4 O3 CC[C@H]([C....
9 6YTM Kd = 65 nM PMW C22 H25 Cl N4 O2 S CC[C@H]([C....
10 6VIY Ki = 1.1 nM QYY C27 H29 N3 O5 S CCNC(=O)c1....
11 5IG6 Kd = 213.7 uM 6B3 C27 H18 N2 O4 c1ccc2c(c1....
12 5O3G - 9J8 C25 H26 Cl N5 O2 CCNC(=O)[C....
13 4J1P Kd = 0.206 uM 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
14 5O3I - 9HN C27 H29 Cl N4 O3 Cc1nnc2n1-....
15 5UEW - 87D C20 H20 N2 O5 S CN1C=C(C(=....
16 5O3B - 9HZ C24 H23 Cl N4 O3 Cc1nnc2n1-....
17 5O3E - 9HW C23 H24 Cl N5 O2 CCNC(=O)[C....
18 3ONI - JQ1 C23 H26 Cl N4 O2 S Cc1c(sc-2c....
19 6K04 Ki = 3.1 nM CQF C22 H21 Cl N6 Cc1nnc2n1-....
20 5O39 - 31O C22 H21 Cl N4 O3 Cc1nnc2n1-....
21 5O3H - 9HQ C23 H24 Cl N5 O2 CCNC(=O)[C....
22 5O3C - 9J2 C22 H21 Cl N4 O3 Cc1nnc2n1-....
23 4MR6 - 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
24 6MOA Kd = 2.5 nM JW4 C25 H22 N4 O Cc1ccc2c(c....
25 5DW1 ic50 = 0.08 uM 5GD C24 H29 N3 O4 Cc1cc(cc(c....
26 5DFC - EAM C22 H22 Cl N5 O2 CCNC(=O)C[....
27 4MR5 - 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
28 5O3F - 9HT C24 H26 Cl N5 O2 CC[C@H]([C....
29 4KV4 - THR PHE ALY SER ILE MET LYS n/a n/a
30 5UEZ Ki = 970 nM 89G C18 H16 N2 O3 CN1C(=O)C=....
31 6VIX Ki = 1.3 nM QYV C24 H21 F2 N3 O5 S CCNC(=O)c1....
32 5UF0 Ki = 160 uM 89J C12 H13 N3 O CNC1=CC(=O....
33 5UEU - 0S6 C20 H19 Cl N4 O2 S Cc1c(sc-2c....
34 4Z93 Kd = 44.6 nM 4LD C24 H23 N5 O2 Cc1c(c(n[n....
35 5UEY Ki = 5.1 nM 88M C22 H24 F2 N2 O5 S CCOC1=CC(=....
36 5UEX Ki = 1.5 nM 89D C24 H26 F2 N2 O5 S CCS(Nc1ccc....
37 5A7C ic50 = 0.00018 M 5D4 C10 H20 N2 O2 CC(=O)NCCC....
50% Homology Family (389)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6JJ3 ic50 = 100 nM BS6 C23 H25 N5 O4 S CN1CCN(CC1....
2 6P05 ic50 = 5.9 nM YF2 C30 H28 N6 O3 S CCS(=O)(=O....
3 4IOO - BAE C6 H13 N O CC(C)(C)C(....
4 5I88 Kd = 250 nM 69G C20 H21 N3 O2 C/C=C/CN1C....
5 5DX4 Kd = 0.137 uM E0C C20 H17 Br N2 O4 S CCN1c2ccc(....
6 6JJB ic50 = 49.5 nM BT0 C19 H16 N2 O4 S CN1c2ccc(c....
7 3JVK Kd = 118 uM GLY GLY ALY ALA PRO ARG LYS GLN n/a n/a
8 4HBX ic50 = 1.9 uM 14X C13 H17 N3 O3 S CN1Cc2cc(c....
9 4NUE Ki = 0.15 uM NUE C19 H19 N5 O3 S Cc1cc(c(c(....
10 6SB8 Kd = 0.07 uM L45 C21 H27 N3 O5 S CCN(CC)S(=....
11 5Y94 Kd = 164 nM 8QC C16 H16 Br N3 O4 S Cc1c2cc(c(....
12 6DMJ - 53W C27 H32 N4 O3 Cc1c(c(on1....
13 4HXR ic50 = 4.1 uM 1A4 C13 H10 N2 O3 S3 c1cc(cc(c1....
14 6DML - 9BM C25 H26 N4 O4 Cc1c(c(on1....
15 5TI5 ic50 = 41 uM 7CN C16 H13 Br N2 O3 S c1cc(cc(c1....
16 6VUJ ic50 = 35.2 uM RLY C23 H30 N2 O5 S CCN(CC)S(=....
17 6X7B ic50 = 27 nM ZVP C26 H24 N4 O5 S c1cc(cnc1)....
18 4O7C ic50 = 10 uM 2RK C22 H23 N5 O C1CNCCC1C2....
19 4IOQ - BAQ C4 H7 N O C1CC(=O)NC....
20 4HXK - 1AJ C11 H11 N3 O S c1csc2c1CN....
21 6S6K Kd = 0.18 uM KXK C24 H31 N3 O5 S Cc1c2c(c([....
22 2YEL ic50 = 15.5 nM WSH C25 H21 N5 O2 Cc1nnc2n1-....
23 6RWJ Kd = 6.41 uM KLK C12 H16 N2 O2 Cc1c2c(c([....
24 6SA2 Kd = 0.08 uM L25 C22 H27 N3 O6 S Cc1c2c(c([....
25 6XV7 - O2Q C14 H13 F2 N5 Cc1nnc2n1n....
26 4BW4 ic50 = 631 nM 9B6 C22 H16 F3 N5 O4 Cc1c(c(on1....
27 4O72 ic50 = 1 uM 2R4 C25 H19 N O3 S c1ccc2c(c1....
28 5F63 Kd = 12 nM 5W2 C28 H35 Cl F N7 O3 S Cc1cnc(nc1....
29 5HLS ic50 = 0.039 uM 62G C20 H16 Cl N3 O2 Cc1c-2c(on....
30 4HBW ic50 = 4.8 uM 14Z C11 H15 N3 O3 S CCNS(=O)(=....
31 4OGI Kd = 37 nM R78 C28 H39 N7 O3 CC[C@@H]1C....
32 6WW8 - YR0 C31 H32 N6 O4 S CN(C)C(=O)....
33 5TI7 ic50 = 11 uM 7CQ C17 H19 Br N2 O4 S COc1ccc(cc....
34 4J0S ic50 = 0.382 uM 1H3 C18 H17 N O3 Cc1c(c(on1....
35 6Q3Y Kd = 54 nM HG5 C30 H38 N6 O2 CC[C@@H]1C....
36 6SAJ Kd = 0.05 uM L2Z C23 H27 N3 O6 S Cc1c2c(c([....
37 4F3I Kd = 36.1 nM 0S6 C20 H19 Cl N4 O2 S Cc1c(sc-2c....
38 4QZS Kd = 89 nM JQ1 C23 H26 Cl N4 O2 S Cc1c(sc-2c....
39 6AFR ic50 = 70 nM 9E3 C13 H10 F N3 O c1cc2c(ccc....
40 4WIV Kd = 550 nM 3P2 C21 H23 N5 O Cc1c(c(on1....
41 6VUF ic50 = 147 uM RLV C14 H20 N2 O3 S CCCNS(=O)(....
42 3P5O Kd = 55.2 nM EAM C22 H22 Cl N5 O2 CCNC(=O)C[....
43 4UIX ic50 = 0.00000001 M TVU C22 H24 N2 O6 S2 CN1C=C(c2c....
44 4HXS ic50 = 4.1 uM 1A3 C16 H14 N2 O3 S2 c1ccc(cc1)....
45 5HM0 ic50 = 0.44 uM 62V C18 H13 Cl N2 O Cc1c-2c(on....
46 5DLX Kd = 2 uM 5D2 C25 H33 Cl N8 O Cc1nnc2n1n....
47 5TI2 ic50 = 24 uM 7CJ C16 H15 F N2 O3 S c1cc(cc(c1....
48 5D3H Kd = 7.9 uM 57G C20 H27 N3 O6 S CCc1c(c([n....
49 6E4A Kd = 44 nM HRY C29 H34 Cl N7 O CN1C=C(C=C....
50 4MEP ic50 = 4.7 uM 24Y C19 H14 Cl N5 O Cc1cccnc1n....
51 4YH4 ic50 = 26 uM Y81 C20 H15 N3 O2 c1ccc(cc1)....
52 5D3N Kd = 9.2 uM L40 C18 H23 N3 O4 S CCc1c(c([n....
53 6C7R Kd = 2.2 nM EO4 C24 H25 N7 O2 Cc1c(c(on1....
54 6WGX ic50 = 0.15 uM U0D C31 H36 F3 N7 Cc1cc(cc(c....
55 6HOV - FER C10 H10 O4 COc1cc(ccc....
56 5D26 Kd = 0.81 uM L28 C19 H26 N4 O5 S CCc1c(c([n....
57 3MUK Kd = 380 uM ALA THR PRK ALA ALA ARG LYS SER n/a n/a
58 4J3I Kd = 8.93 uM 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
59 6X7D ic50 = 388 nM UT4 C19 H18 N2 O4 S c1cc2c(cc1....
60 4QB3 Kd = 3.4 uM 30M C17 H21 N3 O2 CC(=O)NCCC....
61 4LZS Kd = 16 uM L46 C11 H16 N2 O2 CCc1c(c([n....
62 6HDQ ic50 = 5.01 uM FZE C30 H37 F2 N5 O Cc1cc(cnc1....
63 4O71 ic50 = 18 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
64 4CFL Kd = 1.33 uM 8DQ C19 H18 N2 O2 c1ccc(cc1)....
65 4C67 - L5S C15 H12 N4 S Cc1nnc2n1-....
66 6V1K - 5SW C20 H23 N3 O3 CN1C=C(c2c....
67 4QR3 ic50 = 1.4 uM BNJ C14 H16 N2 O3 S2 c1cc(cc(c1....
68 4ZC9 - 4MW C38 H37 Cl N8 O7 S Cc1c(sc-2c....
69 4MEO - 25V C18 H16 N2 O2 Cc1cc(c2cc....
70 6UVM Kd = 510 uM QJA C11 H13 N O S2 CC(=O)N1CC....
71 4LRG ic50 = 0.026 uM 1XB C20 H18 Cl N3 O2 S Cc1c(sc-2c....
72 6CKS ic50 = 0.015 uM F5Y C23 H23 N3 O4 S CCS(=O)(=O....
73 6DJC Ki = 232.8 nM CF6 C48 H54 Cl2 N10 O2 S2 Cc1c(sc-2c....
74 5TI3 ic50 = 44 uM 7CG C16 H14 Br2 N2 O3 S c1cc(cc(c1....
75 4HXP - 1A5 C10 H10 N2 O3 c1cc(ccc1C....
76 6PSB ic50 = 24 uM Y18 C17 H19 N3 O2 CN1C[C@H](....
77 6CD4 ic50 = 5.14 uM EX1 C33 H42 N8 O3 CC(C)N1c2c....
78 4O7E ic50 = 5.7 uM 2RN C20 H15 N3 O c1ccc(cc1)....
79 4O74 ic50 = 0.025 uM R78 C28 H39 N7 O3 CC[C@@H]1C....
80 4BW2 ic50 = 6.31 uM UTH C24 H24 N4 O3 Cc1c(c(on1....
81 5CS8 ic50 = 2.29 uM EB8 C21 H18 N2 O5 S CCN1c2ccc(....
82 3U5J Kd = 2.46 uM 08H C17 H13 Cl N4 Cc1nnc2n1-....
83 5EIS Kd = 1.8 uM 5OU C14 H13 Cl N4 O2 CCn1cnc2c1....
84 6FO5 Kd = 0.19 uM DZH C25 H26 N6 O5 S CCn1cnc2c1....
85 6V1L Kd = 418 nM 5U6 C20 H23 N3 O3 CN1C=C(c2c....
86 3U5L Kd = 0.64 uM 08K C17 H14 Cl N5 Cc1nnc2n1-....
87 4QR4 ic50 = 0.25 uM BNK C14 H15 Cl N2 O3 S2 c1cc(c(cc1....
88 4O7A ic50 = 19 uM 2RF C16 H10 Cl2 N2 O3 c1cc(cc(c1....
89 5F61 Kd = 35 nM 5W0 C26 H34 F N7 O2 S Cc1cnc(nc1....
90 4HXN - 1A7 C9 H6 F N O S c1ccc(c(c1....
91 6DL2 Ki = 33 nM GUJ C17 H17 N3 O S Cc1c(c2c(s....
92 5Z5U - 96U C12 H10 N4 O2 c1cn(cn1)c....
93 5TI4 ic50 = 26 uM 7CM C16 H14 Cl F N2 O3 S c1cc(cc(c1....
94 5Y8C ic50 = 0.16 uM 8P9 C16 H15 Cl N2 O5 S Cc1c2cc(c(....
95 4NUD Ki < 0.0845 uM NUD C18 H17 N5 O3 S Cc1cc(c(cc....
96 4O7B ic50 = 20 uM 2RJ C26 H26 F N5 O Cc1cccc(c1....
97 5CPE ic50 = 0.45 uM EB2 C20 H24 N2 O3 S CCN1c2ccc(....
98 5MLI ic50 = 130 uM 82I C6 H8 Cl N3 O CNC1=C(C(=....
99 5DW2 Kd = 1.44 uM 5GD C24 H29 N3 O4 Cc1cc(cc(c....
100 5D3P Kd = 7.4 uM 57E C19 H21 N3 O4 S CCc1c(c([n....
101 4PCE ic50 = 7 uM 2N0 C17 H19 N O CCc1cc2c(n....
102 5D25 Kd = 0.46 uM 56M C19 H25 N3 O5 S CCN(CC)S(=....
103 5DLZ Kd = 1.8 uM 5D1 C28 H35 N3 O3 Cc1cccc(c1....
104 5Y8W ic50 = 0.23 uM 8PU C15 H13 Br N2 O5 S Cc1c2cc(c(....
105 4J0R ic50 = 0.386 uM 1H2 C18 H17 N O3 Cc1c(c(on1....
106 6MH7 ic50 = 1.3 uM JQY C26 H27 F N6 Cc1ccc(cc1....
107 5F60 Kd = 43 nM 5VZ C26 H34 Cl N7 O2 S Cc1cnc(nc1....
108 5Z5V ic50 = 287 nM 96X C15 H14 N4 O2 CC(=O)Nc1c....
109 4HXO - 1A6 C11 H10 N4 O S Cc1cc(on1)....
110 5CRM ic50 = 1.09 uM EB5 C15 H16 N2 O3 S CCNS(=O)(=....
111 6YQN ic50 = 0.72 uM P8T C32 H28 Cl N7 O2 S Cc1c(sc-2c....
112 5CQT Kd = 0.124 uM EB3 C19 H22 N2 O3 S CCN1c2ccc(....
113 5KHM Ki = 5.012 nM XNH C25 H33 N7 O3 C[C@@H]1C(....
114 6XV3 - O2B C28 H33 N9 O Cc1nnc2n1c....
115 4Z1S ic50 = 0.79 uM 559 C23 H21 Cl N6 Cc1nnc2n1-....
116 4MR3 - 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
117 5MKZ ic50 = 20 uM RNK C11 H12 Cl N3 O S Cc1ccsc1CN....
118 5ULA Ki = 77 nM 5MJ C20 H19 Cl N2 O3 CC1=C(CCC1....
119 4O78 ic50 = 4.6 uM SAV C21 H22 N6 O3 Cc1c2ccc(c....
120 6XVC - O32 C22 H21 N5 O2 Cc1nnc2n1c....
121 4OGJ Kd = 164 nM 2TA C27 H36 N6 O3 S Cc1cnc(nc1....
122 5A85 ic50 = 5.01 uM 78J C21 H30 N4 O2 CC1=Cc2ccn....
123 5TI6 ic50 = 21 uM 7CO C16 H14 F2 N2 O3 S c1cc(cc(c1....
124 6MAU - JBS C30 H32 N6 O3 Cc1c(c(on1....
125 6S4B Kd = 0.14 uM KUH C22 H29 N3 O5 S CCN(CC)S(=....
126 6Q3Z Kd = 44 nM HG8 C29 H38 N6 O2 S CC[C@@H]1C....
127 6V0U Kd = 392 nM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
128 6VUC ic50 = 144 uM RLS C16 H22 N2 O3 S CN1C[C@H](....
129 4MR4 - 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
130 4QR5 ic50 = 0.06 uM BNM C18 H21 N3 O4 S2 c1c(cc(cc1....
131 4MEQ - 25O C12 H11 N5 Cc1cc(n2c(....
132 4O77 ic50 = 2.5 uM 2RE C20 H14 F N3 O c1cc(ccc1c....
133 6XUZ - O1W C24 H33 N9 O2 Cc1nnc2n1c....
134 5EI4 ic50 = 26.4 uM 5NV C17 H17 Cl N8 O2 S CCn1c(nc2c....
135 5CY9 Kd = 0.218 uM E0A C17 H20 N2 O3 S CCCCS(=O)(....
136 6MH1 ic50 = 1.7 uM JQP C26 H27 F N6 Cc1cc(cc(c....
137 5CRZ ic50 = 0.45 uM EB7 C19 H14 Cl F N2 O3 S CCN1c2ccc(....
138 5Y93 ic50 = 2.27 uM 8Q9 C23 H27 Br N4 O7 S Cc1c2cc(c(....
139 5AD2 Kd = 63 nM ETU C24 H30 Cl N7 O2 C[C@@H]1C(....
140 4E96 ic50 = 0.22 uM 0NS C16 H17 N3 O4 S CN1Cc2cc(c....
141 5D0C Kd = 2.34 uM E0B C21 H25 N3 O4 S CCN1c2ccc(....
142 4O7F ic50 = 13 uM 2RQ C25 H24 F N5 O2 COc1ccccc1....
143 5CP5 Kd = 1.234 uM EB0 C19 H15 F N2 O3 S CCN1c2ccc(....
144 4CFK Kd = 1.83 uM LY2 C19 H17 N O3 c1ccc(cc1)....
145 5D3R - 57C C23 H31 N3 O4 S CCCc1c(c([....
146 4NUC Ki = 0.91 uM 435 C19 H18 N4 O3 S Cc1cc(cc(c....
147 4HXL ic50 = 2.2 uM 1A9 C22 H25 N3 O4 S3 c1cc(sc1)S....
148 6CIY ic50 = 0.41 uM F3J C34 H42 N8 O3 CN1CCN(CC1....
149 5D3L Kd = 0.88 uM 57F C21 H29 N3 O5 S CCc1c(c([n....
150 4A9L - P9L C14 H19 N3 O4 S CN1Cc2cc(c....
151 4XYA Kd = 1370 nM 43S C13 H8 Br N5 O c1coc2c1cc....
152 4C66 - H4C C17 H16 Cl N4 S CCc1cc2c(s....
153 6UWU ic50 ~ 70 nM QKP C27 H34 N2 O6 Cc1cc(cc(c....
154 4O76 ic50 = 0.13 uM 1M3 C26 H35 N7 O2 S Cc1cnc(nc1....
155 5LJ2 ic50 = 10 uM 6XW C25 H32 N6 O4 S CC1=Cc2c(c....
156 6CD5 - R4L C35 H44 N8 O3 CN1CCN(CC1....
157 5I80 Kd = 62 nM 67B C17 H17 N3 O2 CN1C=C(c2c....
158 4O75 ic50 = 21 uM 2RC C23 H26 F N6 O9 P CC1(C(=O)N....
159 5NNF - PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU n/a n/a
160 3ZYU ic50 = 0.1 uM 1GH C23 H21 N5 O3 Cc1c(c(on1....
161 4Z1Q ic50 = 0.015 uM 558 C23 H21 Cl N6 Cc1nnc2n1-....
162 6SA3 Kd = 0.42 uM L2N C23 H30 N4 O5 S Cc1c2c(c([....
163 5IGK Kd = 41.8 nM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
164 5Y1Y ic50 = 0.98 uM HNQ C9 H6 N2 O3 c1cc2c(ccc....
165 5Z5T - 96R C12 H10 N4 O c1cc2c(cc(....
166 6V1U - QMG C20 H19 N3 O2 Cc1ccc(cc1....
167 5KDH Ki = 0.37 uM 6RX C18 H17 N3 O4 CCN1C2=C([....
168 4PS5 ic50 = 0.29 uM 2TA C27 H36 N6 O3 S Cc1cnc(nc1....
169 5D24 Kd = 5.8 uM L26 C18 H21 N3 O4 CCc1c(c([n....
170 5ACY Kd = 6.4 nM 9S3 C30 H35 N3 O C[C@H]1C[C....
171 5HCL ic50 = 6 mM 5Y9 C4 H9 N O CC(=O)N(C)....
172 5COI ic50 = 2.58 uM 55K C20 H22 N2 O5 S CCN1c2ccc(....
173 6UWX Kd = 290 uM QKD C12 H17 N O2 S2 CCOC(=O)N1....
174 5Y8Y Kd = 82 nM 8PX C16 H15 Br N2 O5 S Cc1c2cc(c(....
175 4HXM ic50 = 0.79 uM 1A8 C17 H17 N3 O4 S3 CCCC(=O)Nc....
176 5F62 Kd = 6.8 nM 5W1 C26 H33 Cl F N7 O2 S Cc1cnc(nc1....
177 5D3S Kd = 1.3 uM 579 C20 H24 F N3 O5 S CCc1c(c([n....
178 6YQP ic50 = 1.35 uM P8N C29 H27 Cl N6 O3 S Cc1c(sc-2c....
179 6AJX Kd = 9.1 uM HCC C15 H12 O4 c1cc(ccc1C....
180 4LYW Kd = 237 nM 21Q C20 H27 N3 O5 S CCc1c(c([n....
181 4HBV ic50 = 23 uM 15E C9 H9 Br N2 O CN1Cc2cc(c....
182 5LUU Kd = 8.63 uM 77X C15 H17 N3 O CCC(=O)N1C....
183 4YH3 ic50 = 26 uM Y80 C24 H20 N2 O3 COc1ccc(cc....
184 6AJV Kd = 9.1 uM HCC C15 H12 O4 c1cc(ccc1C....
185 6CZV ic50 = 0.23 uM FOY C17 H16 N2 O2 Cc1c(c(on1....
186 4X2I ic50 = 0.35 uM 3X0 C18 H17 Cl N4 Cc1nnc2n1-....
187 6CJ1 ic50 = 6.31 uM FND C34 H44 N8 O3 CC[C@H](C)....
188 5F5Z Kd = 86 nM 5VY C26 H35 N7 O2 S Cc1cnc(nc1....
189 6UVJ Kd = 20 uM QJ1 C11 H15 N O2 S2 COC(=O)N1C....
190 6FNX ic50 = 12.6 uM DYZ C14 H14 N4 O2 CCn1cnc2c1....
191 4HBY ic50 = 4.4 uM 13F C15 H15 N3 O3 S CN1Cc2cc(c....
192 5D3J Kd = 5.7 uM L33 C20 H27 N3 O4 S CCc1c(c([n....
193 6AJY Kd = 5.3 uM A0R C16 H14 O4 COc1ccccc1....
194 3MUL - GLY GLY BTK ALA PRO ARG LYS GLN n/a n/a
195 4LR6 ic50 = 33 uM 1XA C10 H10 N2 O Cc1c(c(on1....
196 5AD3 Kd = 7.9 nM K6K C26 H30 N10 O3 CN(CCOc1cc....
197 4PCI ic50 = 7.5 uM 2NJ C16 H16 N2 O CN1c2ccccc....
198 5D3T Kd = 12 uM 56Y C19 H23 N3 O3 CCc1c(c([n....
199 6SAH Kd = 0.26 uM L2W C23 H29 N3 O5 S Cc1c2c(c([....
200 5LJ1 ic50 > 0.0000316 M 6XX C28 H35 F2 N5 O3 Cc1cc(cnc1....
201 4O70 ic50 = 19 uM 1QK C21 H29 N6 O2 CCc1cnn2c1....
202 4XY9 Kd = 4651 nM 43U C12 H10 Br N5 O COc1ccc(cc....
203 3MXF - JQ1 C23 H26 Cl N4 O2 S Cc1c(sc-2c....
204 5CFW Kd = 0.78 uM 53W C27 H32 N4 O3 Cc1c(c(on1....
205 5A5S ic50 = 1.3 uM NP8 C20 H23 N5 O2 CC1=Cc2c(c....
206 4UIY ic50 = 0.00000001 M 5V2 C21 H20 F3 N3 O3 S2 CN1C=C(c2c....
207 6PS9 ic50 = 79 uM Y17 C18 H21 N3 O2 CN1C[C@@H]....
208 4LZR Kd = 20 uM LOC C22 H25 N O6 CC(=O)N[C@....
209 6PRT ic50 = 2120 uM OWA C8 H13 N O3 CN1C[C@H](....
210 4BW1 ic50 = 1.26 uM S5B C25 H25 N3 O3 Cc1c(c(on1....
211 6YQO ic50 = 4.53 uM P8Q C33 H36 Cl N7 O4 S Cc1c(sc-2c....
212 4MEN - 25K C15 H17 N5 Cc1ccc(cc1....
213 6CIS ic50 = 0.3 uM X26 C37 H48 N8 O3 CC(C)Oc1cc....
214 6CKR ic50 = 0.05 uM F5V C21 H20 N4 O3 S Cn1cc(cn1)....
215 4UIZ ic50 = 0.00001995 M N1D C22 H25 N3 O6 S2 CN1C=C(c2c....
216 5KJ0 ic50 = 130 nM 6TB C29 H41 N7 O3 CC[C@@H]1C....
217 4KV1 - THR PHE ALY SER ILE MET LYS n/a n/a
218 5EGU Kd = 1.4 uM 5NQ C23 H32 N8 O2 S CCCCc1c(nc....
219 5Y8Z ic50 = 0.62 uM 8Q3 C16 H15 Br N2 O4 S Cc1cc2c(cc....
220 6VUB ic50 = 629 uM RLG C11 H13 N O CN1C[C@H](....
221 4BW3 ic50 = 501 nM 9BM C25 H26 N4 O4 Cc1c(c(on1....
222 3U5K - 08J C18 H13 Cl F N3 Cc1ncc2n1-....
223 6FGH - 6RZ C10 H16 N2 O2 S Cc1c(cccn1....
224 6FG6 - D8Q C9 H13 N3 O2 CN1C=C(C=C....
225 6FGG Kd = 17 uM D9B C18 H20 N4 O4 CN1C=C(C=C....
226 5MGJ Kd = 51 uM 7MX C9 H10 Cl N O3 CCOC(=O)C1....
227 6FGV - D9T C14 H21 N3 O2 CN1C=C(C=C....
228 6FGL ic50 = 24 uM UO1 C19 H18 N2 O3 Cc1ccc(cc1....
229 5OR8 - JR4 C17 H18 F N3 O3 S Cc1cc2c(cc....
230 5FE0 - ALY C8 H16 N2 O3 CC(=O)NCCC....
231 5LVR Kd = 250 uM 78Y C10 H10 N4 O Cc1c(nn(n1....
232 5FDZ Kd = 6.8 uM 5X0 C21 H24 N2 O5 CNC(=O)c1c....
233 5FE1 - 12Q C10 H9 N O CN1c2ccccc....
234 5FE6 Kd = 6910 uM 5WZ C9 H16 N2 O C1CC1C(=O)....
235 5FE2 - 5WV C9 H9 N O CN1Cc2cccc....
236 5FE7 Kd = 488 uM 5WU C10 H14 N2 O2 Cc1c2c(n(n....
237 5FE8 - 5WT C13 H14 N2 O2 CC1=CC(=O)....
238 5FE4 - 5WY C9 H9 N O3 c1cc(c2c(c....
239 5FE9 Kd = 20.98 uM 5WS C12 H14 N2 O3 S CC1=CC(=O)....
240 5FE5 - 2QC C9 H9 N3 S c1cc(ccc1C....
241 5MKX ic50 = 20 uM 82I C6 H8 Cl N3 O CNC1=C(C(=....
242 5LVQ Kd = 73 uM 2LX C13 H17 N O3 CNC(=O)c1c....
243 5FE3 - 5WX C8 H8 N2 O2 COc1cccc2c....
244 6C7Q - EO1 C25 H23 N7 O2 Cc1c(c(on1....
245 2YEM ic50 = 15.5 nM WSH C25 H21 N5 O2 Cc1nnc2n1-....
246 5JWM ic50 = 3.09 nM 6ON C54 H66 Cl2 N10 O9 S2 Cc1c(sc-2c....
247 5UOO Ki = 1.4 nM 8FV C26 H21 N5 O2 Cc1c(c(on1....
248 3QZS Kd = 99 uM LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL n/a n/a
249 3QZT - LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL n/a n/a
250 5U6V ic50 = 21 nM 7WY C22 H19 Cl N6 Cc1c-2n(nn....
251 5O3A - 31P C23 H23 Cl N4 O3 CC[C@H]([C....
252 5DFD - 59E C23 H21 N5 O3 Cc1nnc2n1-....
253 5XHK - LDR C13 H9 N O c1ccc2c(c1....
254 5O3D - 9J5 C23 H23 Cl N4 O3 CC[C@H]([C....
255 6YTM Kd = 65 nM PMW C22 H25 Cl N4 O2 S CC[C@H]([C....
256 6VIY Ki = 1.1 nM QYY C27 H29 N3 O5 S CCNC(=O)c1....
257 5IG6 Kd = 213.7 uM 6B3 C27 H18 N2 O4 c1ccc2c(c1....
258 5O3G - 9J8 C25 H26 Cl N5 O2 CCNC(=O)[C....
259 4J1P Kd = 0.206 uM 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
260 5O3I - 9HN C27 H29 Cl N4 O3 Cc1nnc2n1-....
261 5UEW - 87D C20 H20 N2 O5 S CN1C=C(C(=....
262 5O3B - 9HZ C24 H23 Cl N4 O3 Cc1nnc2n1-....
263 5O3E - 9HW C23 H24 Cl N5 O2 CCNC(=O)[C....
264 3ONI - JQ1 C23 H26 Cl N4 O2 S Cc1c(sc-2c....
265 6K04 Ki = 3.1 nM CQF C22 H21 Cl N6 Cc1nnc2n1-....
266 5O39 - 31O C22 H21 Cl N4 O3 Cc1nnc2n1-....
267 5O3H - 9HQ C23 H24 Cl N5 O2 CCNC(=O)[C....
268 5O3C - 9J2 C22 H21 Cl N4 O3 Cc1nnc2n1-....
269 4MR6 - 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
270 6MOA Kd = 2.5 nM JW4 C25 H22 N4 O Cc1ccc2c(c....
271 5DW1 ic50 = 0.08 uM 5GD C24 H29 N3 O4 Cc1cc(cc(c....
272 5DFC - EAM C22 H22 Cl N5 O2 CCNC(=O)C[....
273 4MR5 - 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
274 5O3F - 9HT C24 H26 Cl N5 O2 CC[C@H]([C....
275 2WP1 - LYS ALA PRO ARG ALY GLN LEU ALA THR LYS n/a n/a
276 4FLP Kd = 190.1 nM JQ1 C23 H26 Cl N4 O2 S Cc1c(sc-2c....
277 4KCX Kd = 37 uM 1QK C21 H29 N6 O2 CCc1cnn2c1....
278 4A9I - P9I C15 H13 N2 O C/C(=C/1C=....
279 4UYH ic50 = 0.00000001 M 9S3 C30 H35 N3 O C[C@H]1C[C....
280 4A9H - TVP C12 H15 N O C[C@H]1CCc....
281 4A9F - MB3 C5 H9 N O CN1CCCC1=O
282 4ALG ic50 = 0.5 uM 1GH C23 H21 N5 O3 Cc1c(c(on1....
283 2YEK ic50 = 32.5 nM EAM C22 H22 Cl N5 O2 CCNC(=O)C[....
284 2YDW Kd = 46 nM WSH C25 H21 N5 O2 Cc1nnc2n1-....
285 4A9J - TYL C8 H9 N O2 CC(=O)Nc1c....
286 4A9M ic50 = 0.5 uM P9M C17 H22 N2 O3 S Cc1ccc(cc1....
287 4ALH - A9P C11 H11 N O Cc1c(c(on1....
288 4A9E - 3PF C9 H10 N2 O CN1Cc2cccc....
289 4A9O - A9O C12 H13 N O CCc1c(c(no....
290 4AKN ic50 = 0.79 uM S5B C25 H25 N3 O3 Cc1c(c(on1....
291 4A9N ic50 = 1.5 uM A9N C15 H16 N2 O3 S Cc1ccc(cc1....
292 4KV4 - THR PHE ALY SER ILE MET LYS n/a n/a
293 5UEZ Ki = 970 nM 89G C18 H16 N2 O3 CN1C(=O)C=....
294 6VIX Ki = 1.3 nM QYV C24 H21 F2 N3 O5 S CCNC(=O)c1....
295 5UF0 Ki = 160 uM 89J C12 H13 N3 O CNC1=CC(=O....
296 5UEU - 0S6 C20 H19 Cl N4 O2 S Cc1c(sc-2c....
297 4Z93 Kd = 44.6 nM 4LD C24 H23 N5 O2 Cc1c(c(n[n....
298 5UEY Ki = 5.1 nM 88M C22 H24 F2 N2 O5 S CCOC1=CC(=....
299 5UEX Ki = 1.5 nM 89D C24 H26 F2 N2 O5 S CCS(Nc1ccc....
300 5I8B ic50 = 0.11 uM 69F C23 H22 N2 O2 C[C@@H]1CC....
301 5I8G Kd = 0.03 uM 69E C22 H22 N6 O C[C@@H]1CC....
302 5N18 Kd = 2.1 uM 8HZ C21 H19 N3 O Cc1ccc(cc1....
303 5MLJ Ki = 1.4 nM 9ST C17 H21 Br N4 O CN1C[C@H](....
304 6J3P Kd = 105 nM B8O C21 H25 N5 O3 CN1C[C@H](....
305 6AXQ ic50 = 99000 nM C2Y C10 H9 N O2 COC(=O)c1c....
306 5DBM Kd = 0.35 uM 58N C17 H22 N4 O C[C@@H]1CC....
307 5LPM Kd = 2.77 uM 71Y C20 H23 Cl N2 O3 CCc1c(c([n....
308 5NRW - 96N C21 H22 N2 O2 CCc1c(c([n....
309 3P1D - MB3 C5 H9 N O CN1CCCC1=O
310 5LPJ Kd = 10.1 uM XDM C17 H19 Cl N2 O2 CCc1c(c([n....
311 6FQO ic50 = 0.14 uM E2T C26 H24 N2 O6 CCOc1ccc(c....
312 4TQN Kd = 0.77 uM UL4 C18 H17 N O5 CCOc1ccc(c....
313 6FRF ic50 = 0.04 uM E3T C26 H24 N2 O5 CCOc1ccc(c....
314 5TB6 Kd = 1.53 uM 77X C15 H17 N3 O CCC(=O)N1C....
315 5MQK - QPR C11 H11 N O CC(=O)c1cn....
316 5MQG - F31 C9 H11 N O2 CC(=O)c1cc....
317 5I83 ic50 = 4.1 uM 68Y C18 H20 N2 O2 C[C@@H]1CC....
318 4A9K - TYL C8 H9 N O2 CC(=O)Nc1c....
319 5I86 ic50 = 0.53 uM 69A C18 H19 N3 O2 C[C@@H]1CC....
320 6FR0 ic50 = 0.146 uM E3H C27 H26 N2 O6 CCN1C(=O)C....
321 5NU5 Kd = 0.47 uM 99E C21 H22 N2 O4 CCc1c(c([n....
322 5LPK Kd = 3.06 uM XDM C17 H19 Cl N2 O2 CCc1c(c([n....
323 5MME Kd = 1.4 uM 8Q6 C20 H21 N O6 CCOc1ccc(c....
324 5I89 ic50 = 0.033 uM 69B C21 H22 N4 O C[C@@H]1CC....
325 5NU3 Kd = 0.23 uM 99E C21 H22 N2 O4 CCc1c(c([n....
326 5OWK - 7MX C9 H10 Cl N O3 CCOC(=O)C1....
327 6AY5 ic50 = 69 nM C3V C22 H20 F2 N4 O S Cn1cc(cn1)....
328 5LPL Kd = 12 uM 71X C20 H23 Cl N2 O3 CCc1c(c([n....
329 6FQU ic50 = 2.2 uM E3B C21 H23 F2 N O2 CCOc1ccc(c....
330 6DMK - 2LL C26 H30 N4 O2 Cc1c(c(on1....
331 5MMG Kd = 0.97 uM UT0 C19 H20 N2 O4 S CCOc1ccc(c....
332 5MPN Kd = 0.085 uM YE5 C17 H16 N4 O2 CCOc1ccc(c....
333 5J0D Kd = 134 nM 6F9 C27 H35 N3 O5 CCC(=O)N1C....
334 6AY3 ic50 = 9.5 nM C3J C24 H23 F2 N5 O CNC(=O)c1c....
335 5MPK Kd = 0.003 uM 0BC C21 H18 N6 O3 S CCOc1ccc(c....
336 5CGP Kd = 0.12 uM 53W C27 H32 N4 O3 Cc1c(c(on1....
337 4BJX ic50 = 22 nM 73B C25 H23 Cl N2 O3 C[C@H]1C[C....
338 4UYD ic50 = 79.4 uM V1T C10 H11 N3 O2 CN1c2ccc(c....
339 4XUB ic50 = 1.07 uM 43D C19 H18 N8 Cc1cn(nn1)....
340 4XUA ic50 = 26 uM 43C C21 H18 N6 Cc1cn(nn1)....
341 5MGF Kd = 54 uM 7MW C9 H11 N O3 CCC(=O)c1c....
342 5E9I - F60 C8 H7 N O c1cc(cc2c1....
343 6FGT - D9T C14 H21 N3 O2 CN1C=C(C=C....
344 4NRB ic50 = 38 uM 2LX C13 H17 N O3 CNC(=O)c1c....
345 6FH6 - D8Q C9 H13 N3 O2 CN1C=C(C=C....
346 5MGG - 7MU C7 H7 Cl N2 O CNC(=O)c1c....
347 5ORB - JR6 C16 H19 N3 O2 S Cn1c(c2c(n....
348 4NRC ic50 = 241 uM 2LY C8 H9 N O3 S CNC(=O)c1c....
349 6FH7 - EN2 C17 H18 F N3 O3 CN1C=C(C=C....
350 5E9K - 5KX C3 H3 Cl N2 c1cnc([nH]....
351 4NRA Kd = 65 uM 2LW C13 H13 Cl N2 O CC(=O)N1CC....
352 5MGE Kd = 87 uM 7MX C9 H10 Cl N O3 CCOC(=O)C1....
353 4NR9 - ALY C8 H16 N2 O3 CC(=O)NCCC....
354 5E9L - 6AI C7 H7 N3 c1cc2cn[nH....
355 5OR9 ic50 = 88 uM JR5 C18 H21 F N4 O3 S Cn1c(c2c(n....
356 5E74 Kd = 39 uM 5KH C25 H19 F3 N2 O3 Cc1ccc(cc1....
357 5E9M - BAE C6 H13 N O CC(C)(C)C(....
358 6FGU - D9Q C13 H19 N3 O2 CN1C=C(C=C....
359 5DYX - ADE C5 H5 N5 c1[nH]c2c(....
360 5DYU - MZ0 C4 H6 N2 O c1c([nH]cn....
361 5E73 Kd = 23 uM UO1 C19 H18 N2 O3 Cc1ccc(cc1....
362 7K6R - 9ST C17 H21 Br N4 O CN1C[C@H](....
363 7KDW - WCV C20 H21 N5 O C#CCNc1ncc....
364 7KDZ - WCS C22 H30 N6 O3 S CN(C)CCCOc....
365 7K6S - VYM C13 H16 N2 O c1cc2c(cc1....
366 5A7C ic50 = 0.00018 M 5D4 C10 H20 N2 O2 CC(=O)NCCC....
367 5TPX Kd = 280 nM 7H7 C21 H24 N6 Cc1nnc2n1n....
368 6MO8 - JWD C19 H17 N3 O2 Cc1c(c(on1....
369 6ONY - HWV C28 H30 F N3 O4 CCNC(=O)c1....
370 6JKE - BUX C13 H6 Cl2 N2 O4 c1cc(cc(c1....
371 6MO7 - JWA C19 H25 N3 O4 S Cc1ccc(cc1....
372 6MO9 - JVY C19 H21 N3 O3 S Cc1c(c(on1....
373 3AQA - BYH C17 H16 N4 S2 CN1c2ccccc....
374 6K05 Ki = 95.5 nM CQF C22 H21 Cl N6 Cc1nnc2n1-....
375 5WUU ic50 = 0.81 uM 7UU C18 H18 N2 O3 S CN(CCCNC1=....
376 5N17 Kd = 4.8 uM 8FK C19 H18 N2 O3 S CN1c2ccc(c....
377 5N16 Kd = 5 uM 8FN C22 H15 N5 O2 S c1ccc2c(c1....
378 6VIZ Ki = 120 nM QYY C27 H29 N3 O5 S CCNC(=O)c1....
379 6VIW Ki = 21.6 nM QYV C24 H21 F2 N3 O5 S CCNC(=O)c1....
380 5XXH ic50 = 6.8 uM E0D C18 H20 N2 O4 CC(=O)c1cn....
381 5ML0 - P2L C11 H17 Cl N4 O CN1CCC[C@H....
382 5W0L ic50 = 1.1 nM 9UD C27 H32 F2 N6 O2 CC(=O)N1CC....
383 5W0F ic50 = 16 nM 9U7 C25 H30 N6 O2 CC(=O)N1CC....
384 5W0E ic50 = 0.94 nM 9U4 C27 H33 F2 N7 O2 CNC(=O)N1C....
385 5W0Q ic50 = 18 uM 9UG C12 H16 N2 O2 Cc1ccc2c(c....
386 5W0I ic50 = 1.4 nM 9UA C26 H30 F2 N6 O2 CC(=O)N1CC....
387 5VOM ic50 = 0.79 uM 9GY C24 H23 N3 O4 C[C@H]1CN(....
388 2RI7 - ALA ARG THR MLY GLN THR ALA ARG LYS n/a n/a
389 6J3O Kd = 2.4 uM B4L C13 H19 N5 O CN1CCC[C@H....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LDR; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 LDR 1 1
2 ISN 0.5 0.606061
Similar Ligands (3D)
Ligand no: 1; Ligand: LDR; Similar ligands found: 817
No: Ligand Similarity coefficient
1 9AP 1.0000
2 30G 0.9798
3 X8D 0.9777
4 PEY 0.9769
5 6BL 0.9754
6 DNA 0.9687
7 KYA 0.9676
8 5VJ 0.9670
9 H5B 0.9600
10 DRG 0.9589
11 582 0.9575
12 AA 0.9560
13 BPU 0.9552
14 JR2 0.9548
15 4KL 0.9501
16 3J8 0.9495
17 Z5P 0.9490
18 QPR 0.9489
19 DNC 0.9482
20 64C 0.9481
21 CH9 0.9480
22 5WY 0.9479
23 ANF 0.9477
24 5VL 0.9475
25 8XQ 0.9464
26 THA 0.9460
27 7ZE 0.9457
28 HNQ 0.9457
29 4MU 0.9453
30 BZJ 0.9453
31 28N 0.9453
32 2ZQ 0.9445
33 0N7 0.9437
34 HQD 0.9436
35 226 0.9435
36 FLV 0.9430
37 BGC 0.9426
38 4ME 0.9426
39 C2Y 0.9426
40 8MO 0.9419
41 NID 0.9412
42 54X 0.9401
43 92P 0.9398
44 7I2 0.9398
45 ZYR 0.9392
46 DNF 0.9389
47 CKA 0.9377
48 VK3 0.9375
49 9FL 0.9374
50 M5H 0.9374
51 HLD 0.9368
52 RXA 0.9368
53 TOF 0.9365
54 PJW 0.9365
55 2FQ 0.9364
56 1HN 0.9358
57 XHP 0.9357
58 AZ9 0.9350
59 NQ 0.9345
60 2LY 0.9344
61 1IT 0.9340
62 GJP 0.9335
63 0GZ 0.9333
64 15N 0.9333
65 PE0 0.9330
66 DPT 0.9329
67 MUA 0.9319
68 B62 0.9318
69 9UL 0.9317
70 9CA 0.9316
71 QX4 0.9316
72 CLZ 0.9313
73 G12 0.9312
74 0F9 0.9312
75 AQO 0.9308
76 J9W 0.9308
77 4RU 0.9305
78 Q24 0.9304
79 BDP 0.9303
80 344 0.9298
81 I6G 0.9297
82 PDC 0.9297
83 DQU 0.9293
84 0JD 0.9292
85 EA1 0.9290
86 AY4 0.9287
87 4TU 0.9282
88 7WR 0.9282
89 8WZ 0.9282
90 92K 0.9281
91 J9Q 0.9280
92 URC 0.9280
93 LI6 0.9280
94 0FO 0.9279
95 97T 0.9278
96 BA5 0.9274
97 9KT 0.9269
98 NTZ 0.9268
99 QBK 0.9268
100 GLC 0.9265
101 39O 0.9263
102 AJ2 0.9263
103 OTW 0.9262
104 44W 0.9262
105 MEW 0.9261
106 6VD 0.9261
107 2AK 0.9260
108 JG8 0.9257
109 TIY 0.9255
110 4HC 0.9252
111 INE 0.9251
112 ICO 0.9251
113 7ME 0.9250
114 6ME 0.9250
115 M2K 0.9250
116 M5N 0.9249
117 M6N 0.9249
118 LL1 0.9244
119 67X 0.9243
120 37T 0.9241
121 AZ8 0.9239
122 537 0.9231
123 M5K 0.9231
124 ZME 0.9230
125 0XT 0.9229
126 HA5 0.9229
127 PH2 0.9225
128 E1T 0.9224
129 15L 0.9224
130 TT4 0.9220
131 FBG 0.9219
132 PYQ 0.9217
133 2KA 0.9216
134 BPY 0.9216
135 5NS 0.9215
136 APZ 0.9213
137 BK9 0.9212
138 5OF 0.9212
139 692 0.9212
140 1X7 0.9208
141 6QF 0.9208
142 5RN 0.9207
143 ANC 0.9206
144 JTA 0.9205
145 2JK 0.9205
146 M0W 0.9203
147 FDR 0.9203
148 0FK 0.9198
149 8HC 0.9198
150 7FF 0.9196
151 Q6T 0.9195
152 GNV 0.9193
153 44V 0.9193
154 1A7 0.9192
155 MHK 0.9190
156 PD2 0.9187
157 209 0.9187
158 F12 0.9187
159 QMS 0.9187
160 MVN 0.9186
161 JP2 0.9184
162 2D3 0.9174
163 8G0 0.9172
164 B60 0.9172
165 8W9 0.9171
166 GNM 0.9170
167 1QP 0.9168
168 E1K 0.9164
169 5V7 0.9163
170 TWO 0.9162
171 DX3 0.9158
172 F2W 0.9158
173 12Q 0.9156
174 PQK 0.9155
175 H05 0.9154
176 UAN 0.9153
177 KJH 0.9151
178 ROI 0.9151
179 LZ2 0.9149
180 XM5 0.9148
181 GDE 0.9148
182 7VS 0.9147
183 8NX 0.9145
184 2GQ 0.9143
185 EWG 0.9143
186 XFE 0.9140
187 B55 0.9140
188 DK1 0.9140
189 MOK 0.9139
190 MAQ 0.9138
191 X0W 0.9138
192 AKH 0.9138
193 XAZ 0.9137
194 75K 0.9137
195 E7Z 0.9134
196 ONR 0.9134
197 II4 0.9134
198 TQU 0.9130
199 5NE 0.9129
200 7W1 0.9127
201 DRL 0.9126
202 0HO 0.9125
203 8TX 0.9125
204 BEA 0.9124
205 5QX 0.9123
206 7NI 0.9119
207 HLZ 0.9116
208 D07 0.9115
209 M4E 0.9110
210 SKA 0.9110
211 DPZ 0.9109
212 UFO 0.9108
213 BIK 0.9107
214 OTD 0.9105
215 NLA 0.9104
216 5JQ 0.9101
217 GTR 0.9101
218 2HU 0.9098
219 6NT 0.9096
220 TTL 0.9096
221 M0Q 0.9095
222 8G6 0.9094
223 ZZ8 0.9092
224 42C 0.9092
225 BTY 0.9092
226 VM1 0.9091
227 HQT 0.9089
228 64E 0.9089
229 4AN 0.9088
230 B56 0.9083
231 2ZM 0.9083
232 ARP 0.9082
233 27B 0.9076
234 ABI 0.9075
235 CFF 0.9074
236 SLS 0.9074
237 1F1 0.9072
238 3IT 0.9071
239 TTY 0.9071
240 HBO 0.9070
241 2K8 0.9070
242 7B3 0.9069
243 0HN 0.9069
244 6NI 0.9068
245 8WO 0.9067
246 H33 0.9064
247 5NI 0.9063
248 M1Q 0.9062
249 M1H 0.9062
250 12B 0.9062
251 APS 0.9061
252 68A 0.9059
253 A7W 0.9059
254 3A9 0.9058
255 GAL 0.9058
256 LEL 0.9057
257 NAG 0.9056
258 XQK 0.9055
259 3NY 0.9054
260 MT8 0.9054
261 878 0.9053
262 5F5 0.9053
263 8XL 0.9051
264 AJV 0.9050
265 UNC 0.9050
266 N8Y 0.9049
267 PX7 0.9047
268 AN3 0.9045
269 4Z4 0.9044
270 9FE 0.9042
271 7MX 0.9042
272 61M 0.9042
273 52C 0.9041
274 IV2 0.9041
275 1KP 0.9041
276 C9E 0.9041
277 FE DB1 0.9040
278 5RO 0.9040
279 9MG 0.9038
280 9ZE 0.9036
281 9R5 0.9035
282 CK2 0.9034
283 MO8 0.9033
284 DBJ 0.9030
285 Q71 0.9028
286 MZM 0.9026
287 1X8 0.9024
288 3Y7 0.9022
289 5JL 0.9022
290 ESI 0.9018
291 DIN 0.9017
292 OA3 0.9017
293 FOT 0.9015
294 JDN 0.9012
295 8IG 0.9011
296 X11 0.9011
297 JB8 0.9011
298 6KT 0.9010
299 8S0 0.9010
300 JAW 0.9007
301 4VS 0.9007
302 O2A 0.9006
303 KIB 0.9005
304 GV9 0.9004
305 NDG 0.9003
306 TXW 0.9002
307 V1T 0.9002
308 SYA 0.9002
309 AIN 0.9000
310 IBM 0.9000
311 774 0.8999
312 K44 0.8999
313 FGZ 0.8998
314 AJY 0.8998
315 SRO 0.8997
316 6R8 0.8997
317 R8V 0.8997
318 HJP 0.8994
319 12T 0.8991
320 HHR 0.8991
321 ST1 0.8989
322 QSH 0.8985
323 WUB 0.8982
324 QQQ 0.8981
325 NDH 0.8980
326 PXL 0.8978
327 W8G 0.8977
328 6DP 0.8973
329 5OB 0.8973
330 49O 0.8973
331 KGK 0.8972
332 3MG 0.8971
333 KJU 0.8970
334 NVU 0.8970
335 0FN 0.8968
336 VXX 0.8966
337 C2U 0.8963
338 L07 0.8962
339 KT7 0.8961
340 PHH 0.8961
341 96U 0.8960
342 GCS 0.8959
343 94W 0.8958
344 N0Z 0.8958
345 2O6 0.8957
346 IJZ 0.8956
347 G3F 0.8955
348 9TF 0.8954
349 M6Z 0.8952
350 VNL 0.8952
351 PRZ 0.8952
352 EVA 0.8951
353 N2I 0.8951
354 G3E 0.8951
355 8CM 0.8951
356 MXX 0.8950
357 0W1 0.8950
358 0P6 0.8949
359 CWJ 0.8949
360 GVG 0.8948
361 AP4 0.8947
362 KUF 0.8947
363 BZE 0.8947
364 MS9 0.8946
365 HQJ 0.8945
366 L7T 0.8944
367 GNJ 0.8943
368 49N 0.8939
369 9X5 0.8938
370 5QY 0.8935
371 CSN 0.8935
372 D48 0.8934
373 3QV 0.8933
374 CTL 0.8933
375 JKZ 0.8930
376 GCU 0.8930
377 AMR 0.8929
378 1VK 0.8927
379 MRW 0.8923
380 8ZE 0.8923
381 8GK 0.8922
382 ODO 0.8920
383 TEP 0.8920
384 3R4 0.8920
385 PQ0 0.8918
386 TRP 0.8918
387 CWS 0.8917
388 MB1 0.8916
389 20J 0.8916
390 2F6 0.8915
391 18N 0.8914
392 DXK 0.8914
393 F31 0.8913
394 GHM 0.8912
395 3PF 0.8912
396 1Z8 0.8910
397 5TY 0.8910
398 X09 0.8909
399 UFV 0.8909
400 SYR 0.8906
401 BGU 0.8905
402 96R 0.8902
403 A29 0.8902
404 TNF 0.8902
405 SE2 0.8900
406 S60 0.8900
407 4JQ 0.8898
408 Q7A 0.8897
409 HHS 0.8896
410 39U 0.8895
411 MUR 0.8895
412 TNL 0.8892
413 KJY 0.8890
414 5F8 0.8889
415 DHK 0.8889
416 MNX 0.8889
417 RD4 0.8888
418 KFH 0.8887
419 J5I 0.8887
420 Q77 0.8886
421 MVL 0.8883
422 GCB 0.8883
423 B5D 0.8881
424 X0U 0.8881
425 BZ3 0.8878
426 IQZ 0.8878
427 KTW 0.8877
428 495 0.8874
429 4AA 0.8873
430 HKD 0.8870
431 QBS 0.8870
432 GTQ 0.8869
433 GO2 0.8867
434 4I8 0.8865
435 3MB 0.8865
436 JUG 0.8865
437 9DG 0.8864
438 9UG 0.8863
439 M1E 0.8863
440 R9Y 0.8863
441 TSS 0.8862
442 VYM 0.8862
443 60Q 0.8862
444 IOS 0.8859
445 5GT 0.8859
446 15E 0.8859
447 ORO 0.8858
448 BHA 0.8858
449 54G 0.8857
450 JY4 0.8856
451 IAC 0.8856
452 PRF 0.8856
453 NCT 0.8856
454 2HQ 0.8855
455 COU 0.8853
456 A5H 0.8852
457 5RG 0.8849
458 61O 0.8849
459 OVM 0.8848
460 SKF 0.8847
461 091 0.8847
462 5M0 0.8847
463 ZVO 0.8846
464 86J 0.8844
465 GJS 0.8843
466 GCW 0.8842
467 BIO 0.8842
468 1WC 0.8841
469 3R6 0.8841
470 EYA 0.8837
471 FA0 0.8837
472 CCV 0.8837
473 G1O 0.8836
474 MT0 0.8835
475 5XC 0.8834
476 OSB 0.8833
477 GM7 0.8832
478 KDV 0.8828
479 EV2 0.8828
480 LGC 0.8828
481 L5V 0.8825
482 4M0 0.8825
483 TCR 0.8824
484 CTS 0.8823
485 MAJ 0.8823
486 OMD 0.8823
487 F69 0.8821
488 M3Q 0.8820
489 3GQ 0.8819
490 2FY 0.8818
491 I3A 0.8818
492 R6T 0.8818
493 SKM 0.8817
494 6FB 0.8815
495 OW7 0.8815
496 5GU 0.8814
497 PFB 0.8814
498 JBQ 0.8813
499 K97 0.8812
500 JTH 0.8812
501 2J9 0.8810
502 DIU 0.8810
503 R20 0.8810
504 6TZ 0.8810
505 EN1 0.8809
506 G1P 0.8806
507 M1Z 0.8805
508 KJ5 0.8805
509 SYV 0.8804
510 EYM 0.8804
511 GF4 0.8803
512 XQG 0.8803
513 OCH 0.8802
514 5MK 0.8801
515 AVR 0.8801
516 FDB 0.8800
517 LT8 0.8800
518 H42 0.8798
519 DOB 0.8798
520 4FS 0.8793
521 680 0.8792
522 YH7 0.8792
523 BSP 0.8791
524 2AQ 0.8790
525 1SQ 0.8790
526 EDM 0.8790
527 5PX 0.8790
528 NDM 0.8789
529 22L 0.8789
530 W81 0.8787
531 5CU 0.8785
532 363 0.8785
533 MD6 0.8782
534 SHA 0.8782
535 KLK 0.8781
536 2D0 0.8780
537 6X9 0.8778
538 HZQ 0.8778
539 7HQ 0.8777
540 EY7 0.8777
541 MS0 0.8777
542 6CS 0.8776
543 3WA 0.8776
544 GNY 0.8776
545 QAT 0.8776
546 JU2 0.8773
547 3Z8 0.8773
548 EXD 0.8770
549 XAN 0.8770
550 DOR 0.8768
551 QWW 0.8767
552 GI3 0.8767
553 5NU 0.8766
554 B57 0.8764
555 03V 0.8764
556 SOR 0.8764
557 K68 0.8763
558 RB2 0.8763
559 28S 0.8762
560 MQN 0.8762
561 OXC 0.8762
562 0TU 0.8761
563 8WT 0.8761
564 4NO 0.8760
565 DTR 0.8757
566 SX1 0.8756
567 S0E 0.8755
568 OW4 0.8754
569 GZ8 0.8754
570 GUN 0.8753
571 1XM 0.8752
572 V55 0.8752
573 2AL 0.8752
574 9OF 0.8750
575 06B 0.8750
576 OQC 0.8749
577 1AL 0.8748
578 K22 0.8747
579 6XI 0.8746
580 CHB 0.8746
581 L22 0.8744
582 FQX 0.8744
583 ES5 0.8743
584 TBS 0.8743
585 AW5 0.8742
586 F0J 0.8738
587 K32 0.8737
588 JWS 0.8737
589 1NP 0.8736
590 LT2 0.8736
591 F6P 0.8735
592 GIM 0.8733
593 B21 0.8733
594 ES1 0.8731
595 6AP 0.8729
596 24W 0.8727
597 141 0.8726
598 K17 0.8726
599 MXD 0.8725
600 173 0.8725
601 QAS 0.8724
602 NGO 0.8724
603 A1Y 0.8723
604 YQA 0.8723
605 IPD 0.8722
606 AZA 0.8722
607 5SG 0.8722
608 SXS 0.8722
609 LP8 0.8721
610 JF1 0.8721
611 RH1 0.8720
612 9TZ 0.8720
613 5IQ 0.8720
614 4YS 0.8720
615 A2F 0.8719
616 U7E 0.8717
617 HQY 0.8716
618 TXQ 0.8716
619 2HC 0.8715
620 ESP 0.8714
621 P9P 0.8714
622 0W8 0.8712
623 78Y 0.8711
624 3TJ 0.8711
625 WSD 0.8711
626 ESX 0.8710
627 4BL 0.8710
628 1LM 0.8710
629 JLZ 0.8709
630 4XV 0.8708
631 EGR 0.8706
632 NGT 0.8705
633 QX2 0.8704
634 IGA 0.8701
635 FHB 0.8701
636 4XS 0.8701
637 4V6 0.8700
638 6PB 0.8700
639 JB5 0.8700
640 5WX 0.8700
641 KKN 0.8699
642 4NC 0.8699
643 3M0 0.8697
644 K25 0.8697
645 DNQ 0.8696
646 JBH 0.8694
647 AZG 0.8693
648 8VE 0.8693
649 D1X 0.8693
650 5Q0 0.8692
651 67N 0.8691
652 39A 0.8690
653 X05 0.8690
654 CNI 0.8689
655 J01 0.8689
656 1LQ 0.8689
657 XG1 0.8689
658 BQ2 0.8686
659 6RQ 0.8686
660 32X 0.8685
661 SHG 0.8684
662 K6X 0.8683
663 TSR 0.8682
664 CFP 0.8681
665 JPZ 0.8681
666 3HA 0.8680
667 DBH 0.8680
668 O72 0.8680
669 64F 0.8680
670 42A 0.8678
671 N5J 0.8678
672 ET2 0.8677
673 BOA 0.8677
674 EJZ 0.8676
675 X48 0.8676
676 2H5 0.8676
677 BNL 0.8675
678 P9E 0.8675
679 SG2 0.8674
680 3F0 0.8673
681 TGX 0.8673
682 4YO 0.8671
683 DHB 0.8671
684 KMY 0.8670
685 KTJ 0.8670
686 D80 0.8670
687 ES0 0.8668
688 LZM 0.8668
689 AEZ 0.8668
690 0GY 0.8667
691 ES2 0.8667
692 PXM 0.8666
693 OAI 0.8666
694 EYK 0.8666
695 1XA 0.8665
696 4V2 0.8664
697 VGD 0.8664
698 CWM 0.8664
699 5WV 0.8664
700 FBB 0.8663
701 NRA 0.8663
702 T28 0.8662
703 DMD 0.8661
704 HBI 0.8661
705 P83 0.8660
706 55D 0.8656
707 4BY 0.8655
708 MQB 0.8654
709 0BP 0.8654
710 CB1 0.8654
711 Q88 0.8654
712 RKV 0.8653
713 P9I 0.8653
714 JF2 0.8652
715 DHQ 0.8651
716 MYJ 0.8651
717 UEG 0.8650
718 2HO 0.8650
719 1Z6 0.8650
720 A13 0.8648
721 9CE 0.8647
722 K2T 0.8647
723 290 0.8644
724 6GU 0.8644
725 BZ2 0.8643
726 KDO 0.8642
727 XQ0 0.8642
728 HH8 0.8642
729 9TW 0.8642
730 4XH 0.8641
731 23J 0.8640
732 LT3 0.8638
733 5JT 0.8638
734 MNY 0.8638
735 93K 0.8638
736 7W4 0.8636
737 QSB 0.8636
738 OCZ 0.8636
739 WS7 0.8636
740 1XN 0.8634
741 NNO 0.8634
742 4A3 0.8633
743 M1A 0.8633
744 I7B 0.8633
745 1P8 0.8632
746 YE7 0.8632
747 6E8 0.8631
748 INO 0.8630
749 K37 0.8630
750 I7A 0.8627
751 IHB 0.8626
752 5WT 0.8625
753 NBG 0.8622
754 BCP 0.8622
755 1P7 0.8622
756 0CU 0.8622
757 F9Y 0.8621
758 0FR 0.8620
759 H70 0.8620
760 19E 0.8620
761 OKM 0.8619
762 CLW 0.8618
763 2SX 0.8618
764 36R 0.8617
765 JA8 0.8616
766 ZON 0.8615
767 DX4 0.8615
768 M78 0.8614
769 25O 0.8614
770 Z21 0.8612
771 ZZZ 0.8611
772 GXY 0.8610
773 THM 0.8610
774 HA7 0.8609
775 D87 0.8607
776 OVP 0.8606
777 3HM 0.8604
778 C09 0.8604
779 UXH 0.8602
780 4A5 0.8601
781 3E2 0.8600
782 ES7 0.8600
783 RPQ 0.8594
784 N3W 0.8591
785 ZYV 0.8590
786 HHA 0.8590
787 J9T 0.8583
788 9KZ 0.8581
789 HRM 0.8581
790 KW8 0.8581
791 GNL 0.8580
792 3ID 0.8580
793 4JT 0.8579
794 ITE 0.8578
795 FBU 0.8578
796 5B1 0.8575
797 2BG 0.8575
798 ICT 0.8574
799 7B4 0.8565
800 ICB 0.8562
801 GSY 0.8561
802 LSA 0.8558
803 HTP 0.8550
804 AH9 0.8547
805 MPK 0.8545
806 EV0 0.8544
807 I4D 0.8544
808 AM1 0.8544
809 EUE 0.8540
810 ZYQ 0.8540
811 GCV 0.8538
812 3ZB 0.8533
813 B53 0.8530
814 YSO 0.8528
815 QWN 0.8523
816 F95 0.8521
817 FUD 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6VIY; Ligand: QYY; 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: 6viy.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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