Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00905068
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 |
R22![]() | 4-(3,5-DIMETHYLPHENOXY)-5-(FURAN- 2-YLMETHYLSULFANYLMETHYL)-3-IODO- 6-METHYLPYRIDIN-2(1H)-ONE | A,B | 2BE2 | 0.72 | ![]() |
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 | 0.71 | ![]() |
DRR![]() | A,B | 3BXR | 0.74 | ![]() | |
C61![]() | (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4- HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]- 2,8-DIMETHYLNONANAMIDE | C,O | 2V10 | 0.72 | ![]() |
189![]() | N-BENZYL-2-(2,6-DIMETHYLPHENOXY)- N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN- 3-YL)METHYL]ACETAMIDE | A,B | 1XL2 | 0.71 | ![]() |
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 | 0.71 | ![]() |
NN4![]() | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)- 2-METHYLPROPANOYL]AMINO}ADAMANTANE- 1-CARBOXAMIDE | A,B,C,D,E,F, G,H | 2IRW | 0.71 | ![]() |
SFX![]() | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.72 | ![]() |
TAX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.71 | ![]() |
190![]() | N-{(1S)-1-(3-BROMOBENZYL)-4-[(4- BROMOPHENYL)SULFONYL]-6-METHYL- 2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE | A,B | 1XL5 | 0.73 | ![]() |
RFX![]() | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.72 | ![]() |
AGG![]() | TIROFIBAN | A,B | 2VDM | 0.74 | ![]() |
G05![]() | (4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin- 6-yl [(1S,2R)-1-benzyl-2-hydroxy- 3-{[(4-methoxyphenyl)sulfonyl](2- methylpropyl)amino}propyl]carbamate | A,B | 3DK1 | 0.7 | ![]() |
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 | 0.71 | ![]() |
11N![]() | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.72 | ![]() |
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 | 0.7 | ![]() |
DRS![]() | (9S,12S)-9-(1-methylethyl)-7,10- dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca- 1(16),14,17-triene-12-carboxylic acid | A,B | 3BXS | 0.7 | ![]() |
PI6![]() | [1-BENZYL-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-PROPYL] -CARBAMIC ACID TERT- BUTYL ESTER | A,B | 1B6M | 0.71 | ![]() |
HTA![]() | N-[3-(N'-HYDROXYCARBOXAMIDO)-2- (2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE- N-METHYLAMIDE | A | 1FBL | 0.7 | ![]() |
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 | 0.71 | ![]() |
C41![]() | ALISKIREN | C,O | 2V0Z | 0.71 | ![]() |
TDZ![]() | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8- TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE- 2,4-DIONE | A,B | 2QM9 | 0.79 | ![]() |
TDZ![]() | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8- TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE- 2,4-DIONE | A | 2VN0 | 0.79 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1OYN | 0.74 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XMY | 0.74 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1Q9M | 0.74 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1RO6 | 0.74 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XN0 | 0.74 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1TBB | 0.74 | ![]() |
0EZ![]() | tert-butyl [(1S,2S)-1-benzyl-2- hydroxy-3-{[(8S,11R)-8-[(1R)-1- methylpropyl]-7,10-dioxo-2-oxa- 6,9-diazabicyclo[11.2.2]heptadeca- 1(15),13,16-trien-11-yl]amino}propyl]carbamate | A,B | 1MTR | 0.71 | ![]() |
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 | 0.73 | ![]() |
Y12![]() | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.72 | ![]() |
F1I![]() | N-[1-(2,6-dimethoxybenzyl)piperidin- 4-yl]-4-sulfanylbutanamide | A | 2ZJI | 0.73 | ![]() |
ABY![]() | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL2 | 0.74 | ![]() |
ABY![]() | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)- L-CYSTEINYLGLYCINE | A,B | 1PL1 | 0.74 | ![]() |
K21![]() | 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]- 7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4- BENZOTHIAZEPINE | A,B | 1HAK | 0.74 | ![]() |
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 | 0.72 | ![]() |
4SR![]() | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.74 | ![]() |
HA2![]() | 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]- 6-OXOHEXANOIC ACID) | A | 2VJ8 | 0.71 | ![]() |
MO9![]() | (1R)-2-[(CYANOMETHYL)AMINO]-1-({[2- (DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)- 2-OXOETHYL MORPHOLINE-4-CARBOXYLATE | A,B | 2G7Y | 0.72 | ![]() |
BHP![]() | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.74 | ![]() |
DPD![]() | A,B | 1QIW | 0.72 | ![]() | |
DPD![]() | A | 1QIV | 0.72 | ![]() | |
MUU![]() | N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3- METHOXYPHENYL)SULFONYL]AMINO}-2- HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE | A,B | 2PSU | 0.7 | ![]() |
SNP![]() | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.72 | ![]() |
CM4![]() | (2R,3R,4S)-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIM | 0.71 | ![]() |
MZ9![]() | N-[(1S,2R)-1-BENZYL-2-HYDROXY-3- {[(4-METHOXYPHENYL)SULFONYL][(2S)- 2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE | A,B | 2QI7 | 0.7 | ![]() |
NOQ![]() | (1R,2R)-N-(2-AMINOETHYL)-2-{[(4- METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE | A | 2F7D | 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 | 0.72 | ![]() |