Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02758019
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 |
FEF | A,B | 2VZ6 | 0.72 | ||
NNB | O-[2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate | A | 2VG6 | 0.9 | |
KHA | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.7 | |
NNC | O-[2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate | A | 2VG5 | 0.79 | |
4DP | 3-[5-(DIMETHYLAMINO)-1,3-DIOXO- 1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L- ALANINE | C | 2IPK | 0.76 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.71 | |
VG0 | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(1,1,5-trimethylhexyl)amino]propyl}- 3-(ethylamino)-5-(2-oxopyrrolidin- 1-yl)benzamide | A | 2VIE | 0.79 | |
SX4 | 4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin- 1-yl]carbonyl}aniline | A,B | 3CJ3 | 0.74 | |
VG7 | N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)- 2-hydroxypropyl]-3-(ethylamino)- 5-(2-oxopyrrolidin-1-yl)benzamide | A | 2VJ9 | 0.8 | |
NNI | O-[2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate | A | 2VG7 | 0.82 | |
SX5 | 4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid | A,B | 3CJ4 | 0.77 | |
SU2 | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.74 | |
LS1 | N-METHYL-4-{[(2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | A | 1KE5 | 0.71 | |
BFI | 2[4-BROMO-2-FLUOROPHENYL)METHYL]- 6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'- PYRROLIDINE]-1,2',3,5'(2H)-TETRONE | A | 1PWL | 0.71 | |
12B | BENZO[CD]INDOL-2(1H)-ONE | A,B | 2F67 | 0.73 | |
575 | (4Z)-6-bromo-4-({[4-(pyrrolidin- 1-ylmethyl)phenyl]amino}methylidene)isoquinoline- 1,3(2H,4H)-dione | A,B,C,D | 2ZM3 | 0.8 | |
ISN | ISATIN | A,B | 1OJA | 0.72 | |
ISN | ISATIN | A,B | 2BK5 | 0.72 | |
MNI | N-{[(2R,3R,4R,5R)-3,4-DIHYDROXY- 5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}- 4-(DIMETHYLAMINO)BENZAMIDE | A,B | 2OYM | 0.73 | |
CRI | A,B | 1VKG | 0.72 | ||
MU1 | N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)- 3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN- 5-YL]CARBONYL}AMINO)-1-BENZYL-3- HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE | A,B | 2Q54 | 0.72 | |
C16 | 4-(4-methyl-1,3-dioxo-1,3-dihydro- 2H-isoindol-2-yl)benzonitrile | A | 3BNZ | 0.75 | |
VG5 | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(ethylamino)- 5-(2-oxo-2,3-dihydro-1H-pyrrol- 1-yl)benzamide | A | 2VJ6 | 0.75 | |
BRY | A | 2BHE | 0.8 | ||
446 | 4-[(4-{[6-bromo-3-(methoxycarbonyl)- 1-oxo-4-phenylisoquinolin-2(1H)- yl]methyl}phenyl)amino]-4-oxobutanoic acid | A | 2ZDU | 0.74 | |
BRW | 6-BROMOINDIRUBIN-3'-OXIME | A | 1UV5 | 0.76 | |
23I | N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL- 5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]- 2-METHYLPROPYL}AMINO)-4-METHYL- 5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]- N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | A,B,C,D | 2P4J | 0.7 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1Q41 | 0.71 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1UNH | 0.71 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A | 2QKR | 0.71 | |
3BN | 3-BENZOYL-N-[(1S,2R)-1-BENZYL-3- (CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]- 5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE | A | 2B8V | 0.71 | |
AAA | (2-ACETYL-5-METHYLANILINO)(2,6- DIBROMOPHENYL)ACETAMIDE | A | 1HNI | 0.74 | |
VG6 | N-[(1S,2R)-1-benzyl-2-hydroxy-3- {[3-(trifluoromethyl)benzyl]amino}propyl]- 3-(ethylamino)-5-(2-oxopyrrolidin- 1-yl)benzamide | A | 2VJ7 | 0.77 | |
BBM | 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)- 3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE | A | 1S9J | 0.75 | |
P91 | 8-bromo-4-(2-chlorophenyl)-N-(2- hydroxyethyl)-6-methyl-1,3-dioxo- 1,2,3,6-tetrahydropyrrolo[3,4-e]indole- 7-carboxamide | A | 3CQE | 0.7 | |
SX6 | N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}phenyl)-4-morpholin- 4-yl-4-oxobutanamide | A,B | 3CJ5 | 0.78 | |
C44 | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(1S)-1,2,3,4-tetrahydronaphthalen- 1-ylamino]propyl}-3-(1,1-dioxido- 1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | A | 2VIJ | 0.7 | |
665 | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | A | 2H7L | 0.74 | |
SX3 | 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}aniline | A,B | 3CJ2 | 0.74 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.73 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.73 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.73 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.73 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.73 | |
5HA | N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)- 2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]- N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | A | 2B8L | 0.72 | |
AN9 | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE | A,B | 1XCU | 0.73 |