Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01068241
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 |
IHU![]() | N-(2-CHLORO-4-FLUOROBENZOYL)-N'- (5-HYDROXY-2-METHOXYPHENYL)UREA | A,B | 2ATI | 0.7 | ![]() |
GW4![]() | N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]- 3-{4-[2-(5-METHYL-2-PHENYL-1,3- OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE | A,B | 2POB | 0.7 | ![]() |
R36![]() | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LEE | 0.72 | ![]() |
RHQ![]() | RHODAMINE 6G | A,B,D,E | 1JUS | 0.79 | ![]() |
RHQ![]() | RHODAMINE 6G | A,B,D,E | 3BR5 | 0.79 | ![]() |
RHQ![]() | RHODAMINE 6G | A,D,E | 3BR6 | 0.79 | ![]() |
RHQ![]() | RHODAMINE 6G | A,B | 3D6Z | 0.79 | ![]() |
RHQ![]() | RHODAMINE 6G | A | 1OY8 | 0.79 | ![]() |
RHQ![]() | RHODAMINE 6G | A | 1T9V | 0.79 | ![]() |
323![]() | 2-[3,6-bis(dimethylamino)xanthen- 9-yl]-5-methanoyl-benzoate | A,P,Q | 3D1F | 0.77 | ![]() |
6CA![]() | A | 2FLM | 0.71 | ![]() | |
PX1![]() | (1Z)-7-AMINO-1-(HYDROXYMETHYLENE)- 2-IMINO-4,6-DIMETHYL-3-OXO-2,3- DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X | 1UNJ | 0.73 | ![]() |
PX1![]() | (1Z)-7-AMINO-1-(HYDROXYMETHYLENE)- 2-IMINO-4,6-DIMETHYL-3-OXO-2,3- DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE | A,B,C,D,E,F | 1UNM | 0.73 | ![]() |
4BQ![]() | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.7 | ![]() |
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 | ![]() |
413![]() | (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY- PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)- ACETYLAMINO]-PHENYL-ACETIC ACID | H,L | 1W7X | 0.7 | ![]() |
413![]() | (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY- PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)- ACETYLAMINO]-PHENYL-ACETIC ACID | H | 1W8B | 0.7 | ![]() |
RHO![]() | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1J6Z | 0.74 | ![]() |
RHO![]() | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1NWK | 0.74 | ![]() |
4BS![]() | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.7 | ![]() |
BIJ![]() | 7-{[(2Z,5S)-5-CHLORO-2-{[2-METHOXY- 4-(4-METHYLPIPERAZIN-1-YL)PHENYL]IMINO}- 2,5-DIHYDROPYRIMIDIN-4-YL]AMINO}- 2-METHYL-2,3-DIHYDRO-1H-ISOINDOL- 1-ONE | A | 2JKO | 0.71 | ![]() |
44C![]() | A | 2FBR | 0.71 | ![]() | |
R6G![]() | RHODAMINE 6G | B | 2V3L | 0.76 | ![]() |
1CD![]() | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24- PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA- 1(24),2,4,6,17(25),18,20-HEPTAENE- 23,26-DIONE | A | 2DS1 | 0.8 | ![]() |
GFA![]() | 2-[4-chloro-2-(phenylcarbonyl)phenoxy]- N-phenylacetamide | A | 3DLE | 0.73 | ![]() |
L1R![]() | 4-(2-AMINOETHOXY)-3,5-DICHLORO- N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE | A | 2VIP | 0.74 | ![]() |
RPF![]() | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]- PHENYL}-6-(1,2,,3,4-TETRAHYDRO- QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN- 2-ONE | A,B | 2BKT | 0.71 | ![]() |
426![]() | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3- (CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | A | 1OWI | 0.82 | ![]() |
R37![]() | 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LF2 | 0.72 | ![]() |
MXX![]() | 5,8-dimethoxy-1,4-dimethylquinolin- 2(1H)-one | A,B | 3GAM | 0.7 | ![]() |
D55![]() | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.8 | ![]() |
PXZ![]() | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A | 2D55 | 0.71 | ![]() |
PXZ![]() | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A | 1DSC | 0.71 | ![]() |
PXZ![]() | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A,B | 1A7Z | 0.71 | ![]() |
PXZ![]() | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A,B | 1OVF | 0.71 | ![]() |
PXZ![]() | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | C,D | 1MNV | 0.71 | ![]() |
PXZ![]() | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A,B,C,D | 1I3W | 0.71 | ![]() |
PXZ![]() | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A,B,C | 1A7Y | 0.71 | ![]() |
PXZ![]() | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A,B | 173D | 0.71 | ![]() |
PXZ![]() | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A,B | 1FJA | 0.71 | ![]() |
PXZ![]() | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A | 1DSD | 0.71 | ![]() |
PXZ![]() | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | B | 1L1V | 0.71 | ![]() |
PXZ![]() | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A,B,C | 1QFI | 0.71 | ![]() |
421![]() | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER | A | 1ZSK | 0.71 | ![]() |
194![]() | 4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6P | 0.71 | ![]() |
FMX![]() | FAMOXADONE | C,D,E | 1L0L | 0.7 | ![]() |
ROS![]() | N,N'-TETRAMETHYL-ROSAMINE | A | 1F1T | 0.7 | ![]() |
L05![]() | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.7 | ![]() |
RXD![]() | N-[3-(2-fluoroethoxy)phenyl]-N'- (1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin- 6-yl)butanediamide | A,B,C,D | 3DEK | 0.79 | ![]() |
SN9![]() | 8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPI | 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 | 0.73 | ![]() |
R2C![]() | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID | A | 2PRL | 0.71 | ![]() |
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 | ![]() |