Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00903039
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
DSO | ADAMANTANE-1-CARBOXYLIC ACID-5- DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO- OCTYL-AMIDE | A | 1LWL | 0.73 | |
DSO | ADAMANTANE-1-CARBOXYLIC ACID-5- DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO- OCTYL-AMIDE | A | 1RE9 | 0.73 | |
4EB | 4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)- N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]- 3-NITROBENZENESULFONAMIDE | A | 1YSX | 0.72 | |
TTT | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.71 | |
FSB | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G45 | 0.76 | |
FSB | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G1D | 0.76 | |
GSV | 2-(5-chlorothiophen-2-yl)-N-{(3S)- 1-[3-fluoro-2'-(methylsulfonyl)biphenyl- 4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide | A | 2VH6 | 0.72 | |
2LG | 2-CHLORO-N-(3-CYANO-5,6-DIHYDRO- 4H-CYCLOPENTA[B]THIOPHEN-2-YL)- 5-DIETHYLSULFAMOYL-BENZAMIDE | A | 2AM2 | 0.74 | |
CM8 | N-[(1S,2R)-1-benzyl-2-hydroxy-3- {[3-(trifluoromethyl)benzyl]amino}propyl]- 3-(1,1-dioxido-1,2-thiazinan-2- yl)-5-(ethylamino)benzamide | A | 2VNM | 0.7 | |
N3B | N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]- 3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | A | 1YSI | 0.73 | |
274 | (3Z)-N-(3-CHLOROPHENYL)-3-({3,5- DIMETHYL-4-[(4-METHYLPIPERAZIN- 1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)- N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE | A | 2J7T | 0.71 | |
CRI | A,B | 1VKG | 0.73 | ||
IOF | 4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9Q | 0.75 | |
AZX | 4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO- 2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]- N,N-DIMETHYLBENZAMIDE | A | 2Q8G | 0.82 | |
BL1 | 4-chloro-N-[(2S)-2-methyl-2,3-dihydro- 1H-indol-1-yl]-3-sulfamoylbenzamide | A | 3BL1 | 0.82 | |
F6B | N-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G48 | 0.75 | |
F6B | N-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G53 | 0.75 | |
YDP | (3S,4S),-3,4-Bis-[(4-carbamoyl- benzensulfonyl)-(3-methyl-but-2- enyl)-amino]-pyrrolidine | A | 2ZGA | 0.71 | |
YDP | (3S,4S),-3,4-Bis-[(4-carbamoyl- benzensulfonyl)-(3-methyl-but-2- enyl)-amino]-pyrrolidine | A,B | 3CKT | 0.71 | |
B22 | [2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)- 2-OXOETHYL]IMINO}DIACETATO(2-)- KAPPAO]COPPER | A | 2FOU | 0.74 | |
NNC | O-[2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate | A | 2VG5 | 0.71 | |
LS5 | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}- 2-OXO-2,3-DIHYDRO-1H-INDOLE | A | 1KE9 | 0.74 | |
QN1 | 4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis({[4- (trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide | A,B | 2QNN | 0.71 | |
IOA | 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9N | 0.75 | |
G4G | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE | B | 2R38 | 0.71 | |
G4G | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE | A,B | 2PWR | 0.71 | |
G4G | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE | B | 2R3T | 0.71 | |
INV | 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9L | 0.76 | |
IOE | 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9P | 0.75 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.7 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.7 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.7 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.7 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.7 | |
AM8 | N-(3-chlorophenyl)-N-methyl-2-oxo- 3-[(3,4,5-trimethyl-1H-pyrrol-2- yl)methyl]-2H-indole-5-sulfonamide | A | 2RFS | 0.71 | |
IOC | 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9O | 0.75 | |
SG2 | 1-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE- 5-SULFONIC ACID AMIDE | A | 1KWR | 0.73 | |
H18 | 6-CHLORO-4-(CYCLOHEXYLSULFINYL)- 3-PROPYLQUINOLIN-2(1H)-ONE | A | 1TL1 | 0.75 | |
IXS | N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)- 1-methyl-2-oxoethyl]amino}ethyl]- N'-[(1R)-1-(4-fluorophenyl)ethyl]- 5-[methyl(methylsulfonyl)amino]isophthalamide | A | 2QZL | 0.76 | |
LIU | N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}- 3-nitrophenyl)sulfonyl]-4-(4,4- dimethylpiperidin-1-yl)benzamide | A | 2O22 | 0.7 | |
GW9 | 2-chloro-5-nitro-N-phenylbenzamide | A,D | 3E00 | 0.74 | |
DBR | ADAMANTANE-1-CARBOXYLIC ACID-5- DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO- BUTYL-AMIDE | A | 1RF9 | 0.73 | |
I52 | N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL- PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)- SULFAMOYL]-4-PENTYL-BENZAMIDE | A | 1HOV | 0.73 | |
DY6 | 2-({[3-(3,4-dihydroisoquinolin- 2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | A,B | 3DY6 | 0.72 | |
237 | (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~- [3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL- 4-YL]-4-METHOXYPYRROLIDINE-1,2- DICARBOXAMIDE | A | 2PR3 | 0.7 | |
BSB | N-BENZYL-4-SULFAMOYL-BENZAMIDE | A | 1G4O | 0.74 | |
BOS | N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE | A | 2HD6 | 0.81 | |
INW | 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9M | 0.75 | |
INR | A,C | 1E9H | 0.7 | ||
INR | A | 1UZU | 0.7 | ||
INR | A,B | 1V0O | 0.7 | ||
FRP | N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)- 5-METHYL-6-OXO-1-PHENYLHEXAN-2- YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | A,B,C | 2FDP | 0.74 | |
468 | (3S)-N-(3-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7P | 0.71 | |
I84 | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EKO | 0.73 | |
I84 | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EL3 | 0.73 | |
XLC | 3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]- 4-[(4-METHYL-1-PIPERAZINYL)METHYL]- 2-THIOPHENECARBOXAMIDE | A,L | 1MQ5 | 0.75 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.72 | |
ME1 | 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN- 1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE- 2-CARBOXAMIDE | A | 2P93 | 0.76 | |
SAB | 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE | A | 1OKM | 0.73 | |
ME5 | 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN- 1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE- 2-CARBOXAMIDE | A | 2P95 | 0.74 | |
N3C | 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN- 1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)- 1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)- 3-NITROPHENYL]SULFONYL}BENZAMIDE | A,B | 2YXJ | 0.71 | |
3BM | 2-[(2-chloro-4-iodophenyl)amino]- N-{[(2R)-2,3-dihydroxypropyl]oxy}- 3,4-difluorobenzamide | A | 3EQC | 0.71 | |
F2B | N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G46 | 0.75 | |
F2B | N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G52 | 0.75 | |
AN9 | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE | A,B | 1XCU | 0.7 | |
FXA | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)- 4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | A | 3CEN | 0.7 | |
C4H | N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]- 3-SULFANYLPROPANAMIDE | A,B | 2DOO | 0.73 | |
AVF | 1-{2-[3-(2-Chloro-4,5-difluoro- benzoyl)-ureido]-4-fluoro-phenyl}- piperidine-4-carboxylic acid | A,B | 3CEJ | 0.72 | |
AAP | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA- (2-ACETYL-5-METHYLANILINO)ACETAMIDE | A | 1VRU | 0.74 | |
AAP | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA- (2-ACETYL-5-METHYLANILINO)ACETAMIDE | A | 1HPZ | 0.74 | |
744 | (3S)-N-(5-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7N | 0.71 | |
FXI | 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)- N-[3-fluoro-2'-(methylsulfonyl)biphenyl- 4-yl]cyclopropanecarboxamide | A | 2Q1J | 0.76 | |
I50 | N-[2-({[amino(imino)methyl]amino}oxy)ethyl]- 2-{6-chloro-3-[(2,2-difluoro-2- phenylethyl)amino]-2-fluorophenyl}acetamide | B | 2R2M | 0.72 | |
STB | 4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE | A | 1OKN | 0.71 | |
4CP | 2-[2-(4-CHLORO-PHENYLSULFANYL)- ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)- PROPIONAMIDE | H,I | 2BVR | 0.71 | |
H16 | 6-CHLORO-4-(CYCLOHEXYLSULFANYL)- 3-PROPYLQUINOLIN-2(1H)-ONE | A | 1TKZ | 0.72 | |
358 | 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)- 7-PIPERIDIN-4-YL-3,4-DIHYDROQUINOLIN- 2(1H)-ONE | A | 1OVE | 0.72 | |
LS1 | N-METHYL-4-{[(2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | A | 1KE5 | 0.77 | |
TF2 | (N-{4-[(ETHYLANILINO)SULFONYL]- 2-METHYLPHENYL}-3,3,3-TRIFLUORO- 2-HYDROXY-2-METHYLPROPANAMIDE | A | 2BU6 | 0.75 | |
TMJ | N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2ONY | 0.73 | |
TMJ | N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2ONZ | 0.73 | |
FFB | N-(2,3,4,5,6-PENTAFLOURO-BENZYL)- 4-SULFAMOYL-BENZAMIDE | A | 1G4J | 0.75 | |
FFB | N-(2,3,4,5,6-PENTAFLOURO-BENZYL)- 4-SULFAMOYL-BENZAMIDE | A | 1G54 | 0.75 |