| C1 |
CHEMBL177 |
(2S)-4-Amino-N-[(2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-6-(aminomethyl)-3,4,5-trihydroxy-oxan-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxybutanamide |
-10.27 |
-7.91 |
His44, Lys77, Asp15, Gln173, Asp285 |
Arg151, Tyr156, Ile286, Trp251, Phe289 |
52 |
| C2 |
CHEMBL235241 |
N'-(7-chloroquinolin-4-yl)propane-1,3-diamine |
-9.6 |
-7.25 |
Ile33, Asp72 |
Ala34, Tyr35, Glu47, Trp251, Ala254, Asp285, Ile286 |
29 |
| C3 |
CHEMBL471678 |
3-(2,3-dihydroxy-3-methylbutyl)-6-hydroxy-2-[(1E,5E)-3,4,10-trihydroxyundeca-1,5-dienyl]benzaldehyde |
-9.56 |
-8.61 |
Ile33, Tyr35, Asn37, Lys77, Gln173, Tyr258, Asp285 |
Ala32, Ala34, Trp251, Leu255, Asn257, His290 |
56 |
| C4 |
CHEMBL1644895 |
(2S)-N-[[(2R,3S,4R,5R)-5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-(1H-imidazol-5-yl)-2-[[2-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetyl]amino]propanamide |
-9.52 |
-8.49 |
Tyr35, His41, His44, Glu47, Lys77 |
Asp15, Ala32, Ala34, Asn37, Gly38, Gln173, Trp251, Ile286, Phe289 |
65 |
| C5 |
CHEMBL2017735 |
3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]benzonitrile |
-9.29 |
-9.27 |
Asp72 |
Ile33, Tyr35, Gly43, Glu47, Lys77, Gln173, Trp251, Ala254, Leu255, Tyr258, Asp285, Ile286, His290, Phe314 |
74 |
| C6 |
CHEMBL450837 |
N'-(7-chloroquinolin-4-yl)-N-propylethane-1,2-diamine |
-8.6 |
-7.57 |
Ile33 |
Ala32, Ala34, Tyr35, His44, Glu47, Asp72, Trp251, Ala254, His290, Phe314 |
33 |
| C7 |
CHEMBL240758 |
1-(4-bromophenyl)-3-imidazol-1-yl-2-(imidazol-1-ylmethyl)propan-1-one |
-8.6 |
-7.68 |
Tyr35 |
Ala32, Ile33, Ala34, His44, Glu47, Asp72, Trp251, Gly283, Asp285, Ile286, His312, Phe314 |
41 |
| C8 |
CHEMBL1801945 |
[(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate |
-8.52 |
-7.44 |
Tyr35, His44, Glu47, Gln173, Asp285 |
Asn37, His41, Asp152, Gly283, Ile286, His312, Phe314 |
53 |
| C9 |
CHEMBL1200847 |
(4E)-4-[2-[4-(diaminomethylidene)cyclohexa-2,5-dien-1-ylidene]ethylidene]-3-oxocyclohexa-1,5-diene-1-carboximidamide |
-8.45 |
-8.94 |
Asp152 |
Ala32, Ile33, Ala34, Tyr35, Glu47, Lys77, Gln173, Tyr251, Asp285, Ile286, Phe289, |
50 |
| C10 |
CHEMBL391443 |
1-(5-chlorothiophen-2-yl)-3-imidazol-1-yl-2-(imidazol-1-ylmethyl)propan-1-one |
-8.42 |
-7.45 |
Tyr35, |
Ala32, Ile33, Ala34, His44, Glu47, Asp72, Trp251, ly283, Asp285, Ile286, His312, Phe314 |
39 |
