Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02782473
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 |
183![]() | 1-((2-HYDROXYETHOXY)METHYL)-5-(3- (BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)- DIONE | A,B,C,D,E,F | 1U1F | 0.76 | ![]() |
D18![]() | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN | B | 298D | 0.72 | ![]() |
012![]() | (4S)-N-[(1S,2R)-1-benzyl-3-{[3- (dimethylamino)benzyl]amino}-2- hydroxypropyl]-1-(3-methoxybenzyl)- 2-oxoimidazolidine-4-carboxamide | A,B,C | 3CKP | 0.71 | ![]() |
E20![]() | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.74 | ![]() |
401![]() | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.76 | ![]() |
3QC![]() | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.76 | ![]() |
CS5![]() | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- 5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QK5 | 0.74 | ![]() |
FLQ![]() | N-[6-(ACETYLAMINO)HEXYL]-3',6'- DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN- 1,9'-XANTHENE]-6-CARBOXAMIDE | C | 2FDC | 0.7 | ![]() |
K55![]() | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.74 | ![]() |
2NI![]() | N-{2-[(4'-CYANO-1,1'-BIPHENYL-4- YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA | A | 1ZP5 | 0.72 | ![]() |
H24![]() | (6S)-2-amino-6-(3'-methoxybiphenyl- 3-yl)-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA6 | 0.8 | ![]() |
DPD![]() | A,B | 1QIW | 0.71 | ![]() | |
DPD![]() | A | 1QIV | 0.71 | ![]() | |
D35![]() | 2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURAN | A | 1FMS | 0.71 | ![]() |
DEO![]() | A,B | 1ROS | 0.72 | ![]() | |
DBO![]() | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE- 10-CARBOXAMIDE | A,B,C,D | 2EWY | 0.72 | ![]() |
4MP![]() | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.71 | ![]() |
C27![]() | (6R)-2-amino-6-[2-(3'-methoxybiphenyl- 3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA7 | 0.77 | ![]() |
HWG![]() | N-(TERT-BUTYL)-3,5-DIMETHYL-N'- [(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)CARBONYL]BENZOHYDRAZIDE | A,D | 1R20 | 0.72 | ![]() |
AAY![]() | 8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)- 6-METHOXY-2-NAPHTHYL]METHYL}-6- OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL- 1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN- 1-YL 2-METHYLBUTANOATE | A,B | 1XDD | 0.71 | ![]() |
BBH![]() | 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)- 6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE | A,B | 1D8M | 0.74 | ![]() |
BBH![]() | 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)- 6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE | A,B | 1G05 | 0.74 | ![]() |
DCH![]() | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2- YL)-PROPIONIC ACID ETHYL ESTER | H | 1UVU | 0.7 | ![]() |
P12![]() | 4-[AMINO(IMINO)METHYL]-1-[2-(3- AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN- 1-IUM | B | 1UUI | 0.72 | ![]() |
BBB![]() | 1-((2-HYDROXYETHOXY)METHYL)-5-(3- (BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE- 2,4(1H,3H)-DIONE | A,B,C,D,E,F | 1U1G | 0.75 | ![]() |
HQQ![]() | 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE- 2,4,6-TRIONE | A,B,C | 1G4K | 0.8 | ![]() |
D24![]() | 2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN- 5-YLAMINO-1-AMINOMETHYL]-PHEN-1- YL]FURAN | B | 1EEL | 0.7 | ![]() |
L01![]() | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.76 | ![]() |
11N![]() | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.8 | ![]() |
F1I![]() | N-[1-(2,6-dimethoxybenzyl)piperidin- 4-yl]-4-sulfanylbutanamide | A | 2ZJI | 0.73 | ![]() |
MR0![]() | N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- N~1~,N~1~-DIPROPYLBENZENE-1,3,5- TRICARBOXAMIDE | A,B,C | 2P83 | 0.74 | ![]() |
REN![]() | (S)-reticuline | A | 3FWA | 0.71 | ![]() |
REN![]() | (S)-reticuline | A | 3D2D | 0.71 | ![]() |
K21![]() | 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]- 7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4- BENZOTHIAZEPINE | A,B | 1HAK | 0.74 | ![]() |
R23![]() | METHYL-[4-(4-PIPERIDINE-1-YLMETHYL- PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID- (4-CHLOROPHENYL)-ESTER | A,B,C | 1O79 | 0.71 | ![]() |
AB1![]() | N-{1-BENZYL-4-[2-(2,6-DIMETHYL- PHENOXY)-ACETYLAMINO]-3-HYDROXY- 5-PHENYL-PENTYL}-3-METHYL-2-(2- OXO-TETRAHYDRO-PYRIMIDIN-1-YL)- BUTYRAMIDE | A,B | 2Q5K | 0.72 | ![]() |
AB1![]() | N-{1-BENZYL-4-[2-(2,6-DIMETHYL- PHENOXY)-ACETYLAMINO]-3-HYDROXY- 5-PHENYL-PENTYL}-3-METHYL-2-(2- OXO-TETRAHYDRO-PYRIMIDIN-1-YL)- BUTYRAMIDE | A,B | 2QHC | 0.72 | ![]() |
AB1![]() | N-{1-BENZYL-4-[2-(2,6-DIMETHYL- PHENOXY)-ACETYLAMINO]-3-HYDROXY- 5-PHENYL-PENTYL}-3-METHYL-2-(2- OXO-TETRAHYDRO-PYRIMIDIN-1-YL)- BUTYRAMIDE | A,B | 2RKF | 0.72 | ![]() |
AB1![]() | N-{1-BENZYL-4-[2-(2,6-DIMETHYL- PHENOXY)-ACETYLAMINO]-3-HYDROXY- 5-PHENYL-PENTYL}-3-METHYL-2-(2- OXO-TETRAHYDRO-PYRIMIDIN-1-YL)- BUTYRAMIDE | B | 1MUI | 0.72 | ![]() |
AB1![]() | N-{1-BENZYL-4-[2-(2,6-DIMETHYL- PHENOXY)-ACETYLAMINO]-3-HYDROXY- 5-PHENYL-PENTYL}-3-METHYL-2-(2- OXO-TETRAHYDRO-PYRIMIDIN-1-YL)- BUTYRAMIDE | B | 1RV7 | 0.72 | ![]() |
AB1![]() | N-{1-BENZYL-4-[2-(2,6-DIMETHYL- PHENOXY)-ACETYLAMINO]-3-HYDROXY- 5-PHENYL-PENTYL}-3-METHYL-2-(2- OXO-TETRAHYDRO-PYRIMIDIN-1-YL)- BUTYRAMIDE | A,B | 2RKG | 0.72 | ![]() |
AB1![]() | N-{1-BENZYL-4-[2-(2,6-DIMETHYL- PHENOXY)-ACETYLAMINO]-3-HYDROXY- 5-PHENYL-PENTYL}-3-METHYL-2-(2- OXO-TETRAHYDRO-PYRIMIDIN-1-YL)- BUTYRAMIDE | A,B | 2O4S | 0.72 | ![]() |
AB1![]() | N-{1-BENZYL-4-[2-(2,6-DIMETHYL- PHENOXY)-ACETYLAMINO]-3-HYDROXY- 5-PHENYL-PENTYL}-3-METHYL-2-(2- OXO-TETRAHYDRO-PYRIMIDIN-1-YL)- BUTYRAMIDE | A,B | 2Z54 | 0.72 | ![]() |
SLX![]() | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.7 | ![]() |
TOL![]() | TOLRESTAT | A | 2PDL | 0.71 | ![]() |
TOL![]() | TOLRESTAT | A | 2FZD | 0.71 | ![]() |
TOL![]() | TOLRESTAT | A | 2FZB | 0.71 | ![]() |
TOL![]() | TOLRESTAT | A | 1AH3 | 0.71 | ![]() |
TOL![]() | TOLRESTAT | X | 1ZUA | 0.71 | ![]() |
TOL![]() | TOLRESTAT | A | 1AE4 | 0.71 | ![]() |
D19![]() | 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN | A | 289D | 0.7 | ![]() |
NBF![]() | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.75 | ![]() |
NBF![]() | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.75 | ![]() |
S44![]() | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)- tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid | A | 2ZNN | 0.72 | ![]() |
S44![]() | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)- tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid | A,B | 2ZNO | 0.72 | ![]() |
Y12![]() | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.75 | ![]() |
TNK![]() | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL | A | 1JLA | 0.72 | ![]() |
TNK![]() | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL | A | 1RT2 | 0.72 | ![]() |
TNK![]() | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL | A | 1S1V | 0.72 | ![]() |
CC1![]() | {4-[2-ACETYLAMINO-2-(3-CARBAMOYL- 2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO- 5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)- ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID | A,B | 1FBZ | 0.71 | ![]() |
TMS![]() | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.72 | ![]() |