Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01029884
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 |
NN3 | 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A,B | 2GIR | 0.71 | |
LLB | [6-hydroxy-2-(4-hydroxyphenyl)- 1-benzothien-3-yl]{4-[2-(4-methylpiperidin- 1-yl)ethoxy]phenyl}methanone | A,B | 2R6W | 0.72 | |
MSI | 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE- 1-SULFONYL)-1H-INDOLE-2,3-DIONE | A | 1GFW | 0.73 | |
J67 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin- 8-yl)methyl]-4-[(E)-2-phenylethenyl]- 1H-indole-2,3-dione 3-oxime | X | 3G9L | 0.7 | |
D55 | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.75 | |
EMD | 5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4- TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL- 3,6-DIHYDRO-[1,3,4]THIADIAZIN-2- ONE | A | 1IH0 | 0.71 | |
AL8 | (R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)- 4-METHYLAMINO-2H-THIENO[3,2-E]- 1,2-THIAZINE-6-SULFONAMIDE-1,1- DIOXIDE | A | 1BNM | 0.73 | |
RHO | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1J6Z | 0.74 | |
RHO | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1NWK | 0.74 | |
IPC | 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A | 1YVX | 0.72 | |
RPF | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]- PHENYL}-6-(1,2,,3,4-TETRAHYDRO- QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN- 2-ONE | A,B | 2BKT | 0.73 | |
426 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3- (CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | A | 1OWI | 0.72 | |
BT1 | {2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)- PHENYL]-BENZO[B]THIOPHEN-3-YL}- [4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]- METHANONE | B,H | 1D3T | 0.71 | |
B98 | (3R)-3-(aminomethyl)-9-methoxy- 1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2- e][1,4]diazepin-5-one | A | 3FZ1 | 0.76 | |
B98 | (3R)-3-(aminomethyl)-9-methoxy- 1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2- e][1,4]diazepin-5-one | X | 3FYK | 0.76 | |
323 | 2-[3,6-bis(dimethylamino)xanthen- 9-yl]-5-methanoyl-benzoate | A,P,Q | 3D1F | 0.73 | |
RAL | RALOXIFENE | A,B | 2JFA | 0.72 | |
RAL | RALOXIFENE | A,B | 1ERR | 0.72 | |
RAL | RALOXIFENE | A,B | 2QXS | 0.72 | |
RAL | RALOXIFENE | A | 1QKN | 0.72 | |
RXD | N-[3-(2-fluoroethoxy)phenyl]-N'- (1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin- 6-yl)butanediamide | A,B,C,D | 3DEK | 0.72 | |
ILC | A | 2FPV | 0.72 | ||
VG4 | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(2-oxo-2,3-dihydro- 1H-pyrrol-1-yl)-5-propoxybenzamide | A | 2VIZ | 0.72 | |
35B | 4-bromo-3-(carboxymethoxy)-5-{3- [cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene- 2-carboxylic acid | A | 2ZMM | 0.71 | |
RHQ | RHODAMINE 6G | A,B,D,E | 1JUS | 0.72 | |
RHQ | RHODAMINE 6G | A,B,D,E | 3BR5 | 0.72 | |
RHQ | RHODAMINE 6G | A,D,E | 3BR6 | 0.72 | |
RHQ | RHODAMINE 6G | A,B | 3D6Z | 0.72 | |
RHQ | RHODAMINE 6G | A | 1OY8 | 0.72 | |
RHQ | RHODAMINE 6G | A | 1T9V | 0.72 | |
J88 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin- 8-yl)methyl]-4-phenyl-1H-indole- 2,3-dione 3-oxime | A | 3G9N | 0.7 | |
VG2 | 4-(2-aminoethoxy)-N-(3-chloro-5- piperidin-1-ylphenyl)-3,5-dimethylbenzamide | A | 2VIV | 0.72 | |
AL7 | (S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)- 4-METHYLAMINO-2H-THIENO[3,2-E]- 1,2-THIAZINE-6-SULFONAMIDE-1,1- DIOXIDE | A | 1BNV | 0.73 | |
INL | 6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN- 4-YLMETHYL)-2H-THIENO[3,2-E]-1,2- THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE | A | 1I8Z | 0.74 | |
11M | 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen- 1-yl]carbonyl}spiro[1-benzofuran- 3,4'-piperidin]-5-yl)methanamine | A,B,C,D | 2ZEB | 0.77 | |
J12 | N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN- 1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL- ACETYLAMINO)-5-(3,4,5-TRIHYDROXY- 6-HYDROXYMETHYL-TETRAHYDRO-PYRAN- 2-YLOXY)-BENZAMIDE | D,E,F,G,H | 1PZK | 0.77 | |
R6G | RHODAMINE 6G | B | 2V3L | 0.73 | |
AL1 | 3,,4-DIHYDRO-2-(3-METHOXYPHENYL)- 2H-THIENO-[3,2-E]-1,2-THIAZINE- 6-SULFONAMIDE-1,1-DIOXIDE | A | 1BNN | 0.73 | |
AXA | (5S)-5-(2-amino-2-oxoethyl)-4-oxo- N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin- 6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3- d]pyrimidine-2-carboxamide | A,B | 3DNG | 0.76 | |
L05 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.72 | |
033 | N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]- 1,1'-BIPHENYL-4-YL}SULFONYL)-L- VALINE | A,B,C,D | 1ZTQ | 0.7 | |
MKR | 1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN- 1-YL)PROPYL]-8-FLUORO-3-PHENYL- 3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN- 2-YL}ETHANONE | A,B | 2Q2Y | 0.71 | |
410 | 4-bromo-3-(carboxymethoxy)-5-{3- [cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene- 2-carboxylic acid | A | 2ZN7 | 0.74 | |
CYF | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | L,P | 1MPA | 0.7 | |
CYF | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | L,P | 2MPA | 0.7 | |
CYF | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | I,L | 1DZH | 0.7 |