Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02586147
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 |
PI7 | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2- OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA- 1(16),13(17),14-TRIEN-11-YAMINO)- 2-HYDROXY-1-(4-HYDROXY-BENZYL) - PROPYL]-3-METHYL-2-PROPIONYLAMINO- BUTYRAMIDE | A,B | 1B6P | 0.7 | |
PNV | (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6- (2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE- 2-CARBOXYLIC ACID | A,C | 2Z71 | 0.73 | |
PNV | (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6- (2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE- 2-CARBOXYLIC ACID | A | 2EX9 | 0.73 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.7 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.7 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.7 | |
189 | N-BENZYL-2-(2,6-DIMETHYLPHENOXY)- N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN- 3-YL)METHYL]ACETAMIDE | A,B | 1XL2 | 0.76 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.71 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.71 | |
BHP | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.71 | |
997 | 1-[3,3-DIMETHYL-2-(2-METHYLAMINO- PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY- PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4- TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE | A | 1TFT | 0.71 | |
32P | 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}- 5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE | A | 1TQF | 0.73 | |
006 | (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}- 2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)- 2-hydroxy-2,3-dihydro-1H-inden- 1-yl]-5,5-dimethyl-1,3-thiazolidine- 4-carboxamide | A,B,C,D | 3FNU | 0.71 | |
NN1 | 2-(2-CHLORO-4-FLUOROPHENOXY)-2- METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)- 2-ADAMANTYL]PROPANAMIDE | A | 2ILT | 0.73 | |
PI5 | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2- OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14- TRIEN-11-YLAMINO)- 2-HYDROXY-1-(4-HYDROXY-BENZYL)- PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN- 1-YL)-BUTYRAMIDE | A,B | 1B6K | 0.71 | |
AGG | TIROFIBAN | A,B | 2VDM | 0.73 | |
HA2 | 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]- 6-OXOHEXANOIC ACID) | A | 2VJ8 | 0.72 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.71 | |
HBB | N-{(2R)-2-HYDROXY-2-[(8S,11S)-8- ISOPROPYL-6,9-DIOXO-2-OXA-7,10- DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16- TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE | A,B | 1Z1H | 0.75 | |
MUV | N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2- FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}- N'-METHYLSUCCINAMIDE | A,B | 2PSV | 0.72 | |
294 | N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro- 2H-pyran-4-carboxamide | A,B | 3B8Z | 0.71 | |
ABY | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL2 | 0.75 | |
ABY | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL1 | 0.75 | |
AIU | (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN- 1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL | A | 1XP6 | 0.72 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.7 | |
IH6 | (3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}- N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE- 3-CARBOXAMIDE | A,B | 1ZXC | 0.71 | |
AIH | (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN- 1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL | A | 1XP1 | 0.72 | |
MUU | N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3- METHOXYPHENYL)SULFONYL]AMINO}-2- HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE | A,B | 2PSU | 0.73 | |
LIJ | BENZYL [(1S)-2-({(1S,2R)-1-BENZYL- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)- 2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE | A,B,C | 2HIZ | 0.74 | |
AIT | (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4- {[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)- 2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL | A | 1XPC | 0.74 | |
MZ9 | N-[(1S,2R)-1-BENZYL-2-HYDROXY-3- {[(4-METHOXYPHENYL)SULFONYL][(2S)- 2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE | A,B | 2QI7 | 0.73 | |
GNQ | N-[(1R)-1-[(BENZYLSULFONYL)METHYL]- 2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}- 2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE | A,B | 2HHN | 0.72 | |
GNQ | N-[(1R)-1-[(BENZYLSULFONYL)METHYL]- 2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}- 2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE | A,B | 2HH5 | 0.72 | |
NOQ | (1R,2R)-N-(2-AMINOETHYL)-2-{[(4- METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE | A | 2F7D | 0.75 | |
4NH | 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)- N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE- 3-CARBOXAMIDE | A,B | 2A8H | 0.71 | |
E4D | (2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)- 2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN- 6-OL | A | 1SJ0 | 0.71 | |
DRR | A,B | 3BXR | 0.71 | ||
190 | N-{(1S)-1-(3-BROMOBENZYL)-4-[(4- BROMOPHENYL)SULFONYL]-6-METHYL- 2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE | A,B | 1XL5 | 0.76 | |
K21 | 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]- 7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4- BENZOTHIAZEPINE | A,B | 1HAK | 0.72 | |
HBH | 2-[(8S,11S)-11-{(1R)-1-HYDROXY- 2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}- 6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA- 1(15),13,16-TRIEN-8-YL]ACETAMIDE | A,B | 1Z1R | 0.73 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.73 | |
AIJ | (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4- {[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)- 2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL | A | 1XP9 | 0.74 | |
MO9 | (1R)-2-[(CYANOMETHYL)AMINO]-1-({[2- (DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)- 2-OXOETHYL MORPHOLINE-4-CARBOXYLATE | A,B | 2G7Y | 0.78 |