Receptor
PDB id Resolution Class Description Source Keywords
3uvm 1.57 Å EC: 2.1.1.43 CRYSTAL STRUCTURE OF WDR5 IN COMPLEX WITH THE WDR5-INTERACTI OF MLL4 HOMO SAPIENS TRITHORAX CHROMATIN BIOLOGY BETA-PROPELLER SCAFFOLDING HH3 NUCLEUS TRANSCRIPTION
Ref.: THE PLASTICITY OF WDR5 PEPTIDE-BINDING CLEFT ENABLE BINDING OF THE SET1 FAMILY OF HISTONE METHYLTRANSFE NUCLEIC ACIDS RES. V. 40 4237 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG B:2508;
 Valid;
 none;
 Kd = 0.03 uM
1091.28 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6UCS 1.85 Å EC: 2.1.1.43 DISCOVERY AND STRUCTURE-BASED OPTIMIZATION OF POTENT AND SEL WDR5 INHIBITORS CONTAINING A DIHYDROISOQUINOLINONE BICYCLIC HOMO SAPIENS WDR5 STRUCTURE-BASED DESIGN MIXED-LINEAGE LEUKEMIA TRANSC
Ref.: DISCOVERY AND STRUCTURE-BASED OPTIMIZATION OF POTEN SELECTIVE WD REPEAT DOMAIN 5 (WDR5) INHIBITORS CONT DIHYDROISOQUINOLINONE BICYCLIC CORE. J.MED.CHEM. V. 63 656 2020
Members (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 37 families.
1 2G99 - ALA ARG THR MLY GLN THR ALA ARG MLY SER n/a n/a
2 6E22 Kd = 1.3 nM HLS C20 H23 F N4 O3 COc1cc(cc(....
3 6UHZ - Q8D C13 H15 N3 O2 c1cc2c(cc1....
4 6PGA Kd = 28.9 uM OGM C10 H17 N3 O3 COC(=O)NCC....
5 6PG7 Kd = 22 uM OH4 C14 H18 N2 O2 CO[C@@H](C....
6 6DAI - G2V C15 H17 N3 CN1CCc2c1c....
7 6PG4 Kd = 260 uM OHG C5 H8 N2 O Cc1[nH]cc(....
8 6DY7 Kd = 66200 nM HH7 C12 H13 Cl2 N3 O c1cc(c(cc1....
9 6U8O Kd = 0.289 uM Q1G C17 H15 Br N2 O4 S c1cc(c(cc1....
10 6PG9 Kd = 12 uM OH1 C15 H19 N3 O2 c1ccc(cc1)....
11 2CNX - ALA ARG THR MLY GLN n/a n/a
12 3UVM Kd = 0.03 uM GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG n/a n/a
13 6UCS Ki < 0.02 nM Q41 C30 H32 F N4 O3 Cc1cc(ccc1....
14 6UJJ - QBP C8 H5 F3 N4 c1cc(ccc1c....
15 6E1Y Kd = 22 nM HLM C19 H21 Cl N4 O C[C@@H](c1....
16 6PG5 Kd = 11 uM OHV C16 H21 N3 O3 c1ccc(cc1)....
17 2H6K Kd = 8.7 uM ALA ARG THR MLZ GLN THR ALA ARG LYS n/a n/a
18 6PGF - OJP C11 H17 N3 O2 C=CC(=O)NC....
19 6U6W Kd = 4.71 uM Q0Y C13 H11 Br Cl N O4 S COc1ccc(cc....
20 2H6Q Kd = 7.8 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
21 6PG6 Kd = 200 uM OH7 C10 H17 N3 O2 CC(=O)NCCC....
22 6PG8 Kd = 140 uM OGY C13 H16 N2 O c1ccc(cc1)....
23 6U80 Kd = 37 uM Q1J C19 H16 Br N O4 S COc1ccc(cc....
24 4Y7R Kd = 9.3 uM GLU GLU ILE ASP VAL VAL SER VAL n/a n/a
25 6DAK Ki = 7.21 uM G1Y C20 H19 N3 O c1ccc(cc1)....
26 6E23 Kd = 0.1 nM HLJ C25 H22 Cl2 F N5 O [H]/N=C/1N....
27 5SXM Kd = 2.9 nM ACE ALA ARG THR GLU VAL TYR NH2 n/a n/a
28 3PSL - ACE ALA ARG THR LYS GLN n/a n/a
29 6D9X Ki = 323 uM FZM C12 H12 N2 c1ccc(cc1)....
30 6U8B Kd = 0.431 uM Q1M C14 H11 Br Cl N O6 S COc1ccc(cc....
31 6DAS Ki = 8.37 nM G2D C24 H25 N3 O2 Cc1ccc(cc1....
32 6E1Z Kd = 150000 nM HLP C9 H8 N2 O3 c1cc(oc1Cn....
33 6UIF Kd = 0.17 uM Q8P C16 H18 Br Cl N4 O4 S CNC(=O)c1n....
34 6OI0 - ARG C6 H15 N4 O2 C(C[C@@H](....
35 6PGE Kd = 240 uM OJM C9 H14 N2 O3 CCOC(=O)CC....
36 6DAR Ki = 0.219 uM G2J C25 H27 N3 O2 COc1cccc(c....
37 5VFC ic50 = 0.9 nM 9BA C28 H44 N8 O5 [H]/N=C(NC....
38 6PGB Kd = 25 uM OJG C16 H21 N3 O2 c1ccc(cc1)....
39 6UHY - Q8G C14 H16 N2 O2 c1cc2c(cc1....
40 6U8L - Q1S C20 H21 N5 O2 CN1CCN(CC1....
41 6U5Y Kd = 0.069 uM Q0M C19 H17 Br Cl N3 O5 S CNC(=O)c1c....
42 6PGC Kd = 4.5 uM OJJ C17 H23 N3 O3 COC(=O)N(C....
43 2H13 Kd = 4.5 uM ALA ARG THR MLY GLN THR ALA ARG LYS SER n/a n/a
44 2H6N Kd = 1.02 uM ALA ARG THR MLY GLN THR ALA ARG LYS n/a n/a
45 6UOZ - QF1 C15 H17 Br Cl N3 O5 S2 CS(=O)(=O)....
46 6UFX Ki = 0.049 nM Q6S C28 H29 F N4 O3 [H]/N=C/1N....
47 6PGD - OK4 C19 H32 N6 O5 C[C@@H](C(....
48 6UJL - QBM C7 H11 N3 O S CCCSc1nc(c....
49 6UJ4 Kd = 0.17 uM Q8S C15 H17 Br Cl N3 O3 S Cc1nc(cn1C....
50 6OI2 - 2MR C8 H18 N4 O2 CN/C(=N/C)....
51 6UJH - QBS C10 H8 Cl N O CC(=O)[C@@....
52 6U5M Kd = 0.511 uM Q0S C13 H11 Br F5 N O5 S3 CS(=O)(=O)....
53 6UIK Kd = 0.4 uM Q8M C14 H15 Br Cl N3 O3 S c1c(cc(c(c....
54 6OI1 - NMM C7 H16 N4 O2 [H]/N=C(/N....
55 6PG3 Kd = 480 uM OHJ C8 H14 N2 O CCCCc1[nH]....
70% Homology Family (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 2G99 - ALA ARG THR MLY GLN THR ALA ARG MLY SER n/a n/a
2 6E22 Kd = 1.3 nM HLS C20 H23 F N4 O3 COc1cc(cc(....
3 6UHZ - Q8D C13 H15 N3 O2 c1cc2c(cc1....
4 6PGA Kd = 28.9 uM OGM C10 H17 N3 O3 COC(=O)NCC....
5 6PG7 Kd = 22 uM OH4 C14 H18 N2 O2 CO[C@@H](C....
6 6DAI - G2V C15 H17 N3 CN1CCc2c1c....
7 6PG4 Kd = 260 uM OHG C5 H8 N2 O Cc1[nH]cc(....
8 6DY7 Kd = 66200 nM HH7 C12 H13 Cl2 N3 O c1cc(c(cc1....
9 6U8O Kd = 0.289 uM Q1G C17 H15 Br N2 O4 S c1cc(c(cc1....
10 6PG9 Kd = 12 uM OH1 C15 H19 N3 O2 c1ccc(cc1)....
11 2CNX - ALA ARG THR MLY GLN n/a n/a
12 3UVM Kd = 0.03 uM GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG n/a n/a
13 6UCS Ki < 0.02 nM Q41 C30 H32 F N4 O3 Cc1cc(ccc1....
14 6UJJ - QBP C8 H5 F3 N4 c1cc(ccc1c....
15 6E1Y Kd = 22 nM HLM C19 H21 Cl N4 O C[C@@H](c1....
16 6PG5 Kd = 11 uM OHV C16 H21 N3 O3 c1ccc(cc1)....
17 2H6K Kd = 8.7 uM ALA ARG THR MLZ GLN THR ALA ARG LYS n/a n/a
18 6PGF - OJP C11 H17 N3 O2 C=CC(=O)NC....
19 6U6W Kd = 4.71 uM Q0Y C13 H11 Br Cl N O4 S COc1ccc(cc....
20 2H6Q Kd = 7.8 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
21 6PG6 Kd = 200 uM OH7 C10 H17 N3 O2 CC(=O)NCCC....
22 6PG8 Kd = 140 uM OGY C13 H16 N2 O c1ccc(cc1)....
23 6U80 Kd = 37 uM Q1J C19 H16 Br N O4 S COc1ccc(cc....
24 4Y7R Kd = 9.3 uM GLU GLU ILE ASP VAL VAL SER VAL n/a n/a
25 6DAK Ki = 7.21 uM G1Y C20 H19 N3 O c1ccc(cc1)....
26 6E23 Kd = 0.1 nM HLJ C25 H22 Cl2 F N5 O [H]/N=C/1N....
27 5SXM Kd = 2.9 nM ACE ALA ARG THR GLU VAL TYR NH2 n/a n/a
28 3PSL - ACE ALA ARG THR LYS GLN n/a n/a
29 6D9X Ki = 323 uM FZM C12 H12 N2 c1ccc(cc1)....
30 6U8B Kd = 0.431 uM Q1M C14 H11 Br Cl N O6 S COc1ccc(cc....
31 6DAS Ki = 8.37 nM G2D C24 H25 N3 O2 Cc1ccc(cc1....
32 6E1Z Kd = 150000 nM HLP C9 H8 N2 O3 c1cc(oc1Cn....
33 6UIF Kd = 0.17 uM Q8P C16 H18 Br Cl N4 O4 S CNC(=O)c1n....
34 6OI0 - ARG C6 H15 N4 O2 C(C[C@@H](....
35 6PGE Kd = 240 uM OJM C9 H14 N2 O3 CCOC(=O)CC....
36 6DAR Ki = 0.219 uM G2J C25 H27 N3 O2 COc1cccc(c....
37 5VFC ic50 = 0.9 nM 9BA C28 H44 N8 O5 [H]/N=C(NC....
38 6PGB Kd = 25 uM OJG C16 H21 N3 O2 c1ccc(cc1)....
39 6UHY - Q8G C14 H16 N2 O2 c1cc2c(cc1....
40 6U8L - Q1S C20 H21 N5 O2 CN1CCN(CC1....
41 6U5Y Kd = 0.069 uM Q0M C19 H17 Br Cl N3 O5 S CNC(=O)c1c....
42 6PGC Kd = 4.5 uM OJJ C17 H23 N3 O3 COC(=O)N(C....
43 2H13 Kd = 4.5 uM ALA ARG THR MLY GLN THR ALA ARG LYS SER n/a n/a
44 2H6N Kd = 1.02 uM ALA ARG THR MLY GLN THR ALA ARG LYS n/a n/a
45 6UOZ - QF1 C15 H17 Br Cl N3 O5 S2 CS(=O)(=O)....
46 6UFX Ki = 0.049 nM Q6S C28 H29 F N4 O3 [H]/N=C/1N....
47 6PGD - OK4 C19 H32 N6 O5 C[C@@H](C(....
48 6UJL - QBM C7 H11 N3 O S CCCSc1nc(c....
49 6UJ4 Kd = 0.17 uM Q8S C15 H17 Br Cl N3 O3 S Cc1nc(cn1C....
50 6OI2 - 2MR C8 H18 N4 O2 CN/C(=N/C)....
51 6UJH - QBS C10 H8 Cl N O CC(=O)[C@@....
52 6U5M Kd = 0.511 uM Q0S C13 H11 Br F5 N O5 S3 CS(=O)(=O)....
53 6UIK Kd = 0.4 uM Q8M C14 H15 Br Cl N3 O3 S c1c(cc(c(c....
54 6OI1 - NMM C7 H16 N4 O2 [H]/N=C(/N....
55 6PG3 Kd = 480 uM OHJ C8 H14 N2 O CCCCc1[nH]....
50% Homology Family (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 2G99 - ALA ARG THR MLY GLN THR ALA ARG MLY SER n/a n/a
2 6E22 Kd = 1.3 nM HLS C20 H23 F N4 O3 COc1cc(cc(....
3 6UHZ - Q8D C13 H15 N3 O2 c1cc2c(cc1....
4 6PGA Kd = 28.9 uM OGM C10 H17 N3 O3 COC(=O)NCC....
5 6PG7 Kd = 22 uM OH4 C14 H18 N2 O2 CO[C@@H](C....
6 6DAI - G2V C15 H17 N3 CN1CCc2c1c....
7 6PG4 Kd = 260 uM OHG C5 H8 N2 O Cc1[nH]cc(....
8 6DY7 Kd = 66200 nM HH7 C12 H13 Cl2 N3 O c1cc(c(cc1....
9 6U8O Kd = 0.289 uM Q1G C17 H15 Br N2 O4 S c1cc(c(cc1....
10 6PG9 Kd = 12 uM OH1 C15 H19 N3 O2 c1ccc(cc1)....
11 2CNX - ALA ARG THR MLY GLN n/a n/a
12 3UVM Kd = 0.03 uM GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG n/a n/a
13 6UCS Ki < 0.02 nM Q41 C30 H32 F N4 O3 Cc1cc(ccc1....
14 6UJJ - QBP C8 H5 F3 N4 c1cc(ccc1c....
15 6E1Y Kd = 22 nM HLM C19 H21 Cl N4 O C[C@@H](c1....
16 6PG5 Kd = 11 uM OHV C16 H21 N3 O3 c1ccc(cc1)....
17 2H6K Kd = 8.7 uM ALA ARG THR MLZ GLN THR ALA ARG LYS n/a n/a
18 6PGF - OJP C11 H17 N3 O2 C=CC(=O)NC....
19 6U6W Kd = 4.71 uM Q0Y C13 H11 Br Cl N O4 S COc1ccc(cc....
20 2H6Q Kd = 7.8 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
21 6PG6 Kd = 200 uM OH7 C10 H17 N3 O2 CC(=O)NCCC....
22 6PG8 Kd = 140 uM OGY C13 H16 N2 O c1ccc(cc1)....
23 6U80 Kd = 37 uM Q1J C19 H16 Br N O4 S COc1ccc(cc....
24 4Y7R Kd = 9.3 uM GLU GLU ILE ASP VAL VAL SER VAL n/a n/a
25 6DAK Ki = 7.21 uM G1Y C20 H19 N3 O c1ccc(cc1)....
26 6E23 Kd = 0.1 nM HLJ C25 H22 Cl2 F N5 O [H]/N=C/1N....
27 5SXM Kd = 2.9 nM ACE ALA ARG THR GLU VAL TYR NH2 n/a n/a
28 3PSL - ACE ALA ARG THR LYS GLN n/a n/a
29 6D9X Ki = 323 uM FZM C12 H12 N2 c1ccc(cc1)....
30 6U8B Kd = 0.431 uM Q1M C14 H11 Br Cl N O6 S COc1ccc(cc....
31 6DAS Ki = 8.37 nM G2D C24 H25 N3 O2 Cc1ccc(cc1....
32 6E1Z Kd = 150000 nM HLP C9 H8 N2 O3 c1cc(oc1Cn....
33 6UIF Kd = 0.17 uM Q8P C16 H18 Br Cl N4 O4 S CNC(=O)c1n....
34 6OI0 - ARG C6 H15 N4 O2 C(C[C@@H](....
35 6PGE Kd = 240 uM OJM C9 H14 N2 O3 CCOC(=O)CC....
36 6DAR Ki = 0.219 uM G2J C25 H27 N3 O2 COc1cccc(c....
37 5VFC ic50 = 0.9 nM 9BA C28 H44 N8 O5 [H]/N=C(NC....
38 6PGB Kd = 25 uM OJG C16 H21 N3 O2 c1ccc(cc1)....
39 6UHY - Q8G C14 H16 N2 O2 c1cc2c(cc1....
40 6U8L - Q1S C20 H21 N5 O2 CN1CCN(CC1....
41 6U5Y Kd = 0.069 uM Q0M C19 H17 Br Cl N3 O5 S CNC(=O)c1c....
42 6PGC Kd = 4.5 uM OJJ C17 H23 N3 O3 COC(=O)N(C....
43 2H13 Kd = 4.5 uM ALA ARG THR MLY GLN THR ALA ARG LYS SER n/a n/a
44 2H6N Kd = 1.02 uM ALA ARG THR MLY GLN THR ALA ARG LYS n/a n/a
45 6UOZ - QF1 C15 H17 Br Cl N3 O5 S2 CS(=O)(=O)....
46 6UFX Ki = 0.049 nM Q6S C28 H29 F N4 O3 [H]/N=C/1N....
47 6PGD - OK4 C19 H32 N6 O5 C[C@@H](C(....
48 6UJL - QBM C7 H11 N3 O S CCCSc1nc(c....
49 6UJ4 Kd = 0.17 uM Q8S C15 H17 Br Cl N3 O3 S Cc1nc(cn1C....
50 6OI2 - 2MR C8 H18 N4 O2 CN/C(=N/C)....
51 6UJH - QBS C10 H8 Cl N O CC(=O)[C@@....
52 6U5M Kd = 0.511 uM Q0S C13 H11 Br F5 N O5 S3 CS(=O)(=O)....
53 6UIK Kd = 0.4 uM Q8M C14 H15 Br Cl N3 O3 S c1c(cc(c(c....
54 6OI1 - NMM C7 H16 N4 O2 [H]/N=C(/N....
55 6PG3 Kd = 480 uM OHJ C8 H14 N2 O CCCCc1[nH]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG; Similar ligands found: 117
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 1 1
2 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.59542 0.915254
3 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.578947 0.75
4 GLY ASP GLU VAL LYS VAL PHE ARG 0.57554 0.813559
5 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.561644 0.898305
6 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.559441 0.929825
7 ACE ALA ARG THR GLU VAL TYR NH2 0.552239 0.881356
8 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.551181 0.803571
9 ALA ARG THR GLU LEU TYR ARG SER LEU 0.546099 0.916667
10 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.545455 0.857143
11 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.537415 0.898305
12 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.530201 0.915254
13 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.517007 0.948276
14 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.513158 0.84127
15 SER LEU ARG PHE LEU TYR GLU GLY 0.51049 0.84127
16 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.509677 0.868852
17 SER SER ARG LYS GLU TYR TYR ALA 0.507463 0.881356
18 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.503597 0.786885
19 LEU GLU LYS ALA ARG GLY SER THR TYR 0.503185 0.887097
20 THR PHE GLN ALA PSA LEU ARG GLU 0.5 0.809524
21 ASP ARG VAL TYR ILE HIS PRO PHE 0.496689 0.830769
22 SER GLU LEU GLU ILE LYS ARG TYR 0.496599 0.870968
23 ALA TYR ARG 0.495868 0.857143
24 PHQ LEU VAL ARG TYR 0.492857 0.868852
25 PHE TYR ARG ALA LEU MET 0.489655 0.83871
26 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.48951 0.766667
27 ARG ARG GLU VAL HIS THR TYR TYR 0.487013 0.80597
28 GLU LEU LYS TPO GLU ARG TYR 0.480263 0.833333
29 ARG VAL LEU PHE GLU ALA MET 0.47973 0.803279
30 ASP SEP TYR GLU VAL LEU ASP LEU 0.476821 0.69697
31 GLU VAL TYR GLU SER 0.476562 0.758621
32 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.47482 0.883333
33 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.473684 0.916667
34 SER GLU ILE GLU PHE ALA ARG LEU 0.472973 0.803279
35 GLU LEU LYS ARG LYS MET ILE TYR MET 0.470968 0.870968
36 ASP ALA GLU PHE ARG HIS ASP 0.467626 0.807018
37 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.466258 0.80597
38 ARG GLY TYR VAL TYR GLN GLY LEU 0.466216 0.898305
39 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.464052 0.819672
40 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.463855 0.797101
41 SER SER ILE GLU PHE ALA ARG LEU 0.463576 0.819672
42 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.463087 0.915254
43 GLY GLY LYS LYS LYS TYR ARG LEU 0.460993 0.931035
44 GLY GLY LYS LYS ARG TYR LYS LEU 0.460993 0.931035
45 GLY GLY ARG LYS LYS TYR LYS LEU 0.460993 0.931035
46 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.460526 0.730159
47 PHE ARG TYR LEU GLY 0.460432 0.898305
48 GLU LEU ARG ARG LYS MET MET TYR MET 0.459459 0.901639
49 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.457516 0.806452
50 PHE GLU ASP LEU ARG VAL SER SER PHE 0.457516 0.806452
51 SER ASP TYR GLN ARG LEU 0.455882 0.929825
52 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.453333 0.770492
53 ASP GLU LEU GLU ILE LYS ALA TYR 0.452703 0.813559
54 ASP ALA GLU PHE ARG HIS ASP SER 0.450331 0.734375
55 ALA GLU THR PHE TYR VAL ASP GLY 0.45 0.704918
56 GLY LEU TYR ALA SER LYS LEU ALA 0.449275 0.741935
57 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.447853 0.788732
58 GLU THR VAL ARG PHE GLN SER ASP 0.447368 0.816667
59 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.44586 0.695652
60 GLU LEU ASN ARG LYS MET ILE TYR MET 0.445122 0.830769
61 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.444444 0.737705
62 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.442953 0.887097
63 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.442424 0.80597
64 ARG LYS LYS ARG TYR THR VAL VAL GLY ASN 0.442308 0.854839
65 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.440789 0.721311
66 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.440298 0.810345
67 ACE GLU ALA GLN THR ARG LEU 0.438849 0.813559
68 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.437086 0.730159
69 ALA ARG THR MLY GLN THR ALA ARG TYR 0.437086 0.848485
70 PTR LEU ARG VAL ALA 0.43662 0.825397
71 ARG GLY TYR LEU TYR GLN GLY LEU 0.432432 0.898305
72 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.431507 0.758065
73 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.431507 0.693548
74 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.431373 0.761905
75 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.43125 0.723077
76 THR ASN GLU TYR LYS VAL 0.430657 0.766667
77 GLY ALA ARG ALA HIS SER SER 0.429577 0.757576
78 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.426901 0.811594
79 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.426035 0.694444
80 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.425676 0.766667
81 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.425532 0.830508
82 LEU PRO PHE GLU ARG ALA THR VAL MET 0.425287 0.68
83 ACE ALA ARG THR LYS GLN 0.424242 0.733333
84 VAL ALA PHE ARG SER 0.423358 0.793103
85 ARG TYR GLY PHE VAL ALA ASN PHE 0.423077 0.83871
86 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.422819 0.813559
87 GLY ASN PHE LEU GLN SER ARG 0.422819 0.806452
88 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.422535 0.783333
89 ALA ARG THR LYS GLN THR ALA ARG LYS 0.422535 0.766667
90 GLY SER TYR LEU VAL THR SER VAL 0.42029 0.737705
91 GLY GLU ALA TPO VAL PTR ALA 0.417808 0.69697
92 TYR HIS SEP VAL VAL ARG TYR ALA 0.417178 0.702703
93 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.416667 0.676056
94 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.41573 0.7
95 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.415663 0.753846
96 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.415094 0.777778
97 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.414815 0.824561
98 ACE ARG TYR ALA VAL VAL PRO ASP GLU 0.414474 0.735294
99 GLY ALA ARG 0.413793 0.714286
100 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.412903 0.730159
101 GLY ASN CYS PHE SER LYS ARG ARG ALA ALA 0.411765 0.746032
102 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.411392 0.693333
103 ALA ALA LEU THR ARG ALA 0.410448 0.762712
104 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.410256 0.68254
105 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.409091 0.758065
106 ACE GLN THR ALA ARG BTK SER THR 0.406897 0.758065
107 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.406452 0.809524
108 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.40625 0.765625
109 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.406061 0.833333
110 GLU ALA GLN THR ARG LEU 0.405594 0.79661
111 GLU LEU ASP LYS TYR ALA SER 0.405405 0.8
112 ALA THR ALA ALA ALA THR GLU ALA TYR 0.404412 0.711864
113 ASP ALA ASP GLU TYR LEU 0.402878 0.77193
114 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.401361 0.761905
115 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.401316 0.806452
116 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.4 0.705882
117 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.4 0.833333
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6UCS; Ligand: Q41; 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: 6ucs.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6UCS; Ligand: Q41; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6ucs.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
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