Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01789161
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 |
CNO | 2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL- ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)- METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID | A,B,C,D | 1K0Y | 0.7 | |
6CA | A | 2FLM | 0.71 | ||
R2C | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID | A | 2PRL | 0.73 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.71 | |
MBQ | 2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]- 3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE | A | 1SIH | 0.84 | |
D55 | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.75 | |
RHO | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1J6Z | 0.7 | |
RHO | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1NWK | 0.7 | |
RPF | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]- PHENYL}-6-(1,2,,3,4-TETRAHYDRO- QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN- 2-ONE | A,B | 2BKT | 0.75 | |
I25 | (2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){3- [3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]- 5-ETHYLPHENYL}ACETIC ACID | H,I | 2V3H | 0.72 | |
I26 | (2R)-[(4-CARBAMIMIDOYLPHENYL)AMINO]{3- [3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]- 5-ETHYL-2-FLUOROPHENYL}ETHANOIC ACID | H | 2V3O | 0.71 | |
ROS | N,N'-TETRAMETHYL-ROSAMINE | A | 1F1T | 0.71 | |
FL1 | 5-{[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONOTHIOYL]AMINO}- 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)BENZOIC ACID | A | 2F14 | 0.72 | |
MUS | 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5- (ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO- NON-2-ULOPYRANOSIDONIC ACID | A | 1S0J | 0.7 | |
L05 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.71 | |
UMG | METHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSE | A | 1BB6 | 0.71 | |
IC1 | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]- INDOLIN-2-ONE | A,B | 1EH4 | 0.77 | |
MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | A,B,C,D,I,J, K,L | 3EWF | 0.75 | |
MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | A,B,I,L | 2V5W | 0.75 | |
MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | B | 1VDN | 0.75 | |
MCM | 7-AMINO-4-METHYL-CHROMEN-2-ONE | C | 1VAI | 0.75 | |
44C | A | 2FBR | 0.71 | ||
R6G | RHODAMINE 6G | B | 2V3L | 0.71 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.77 | |
4BQ | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.75 | |
194 | 4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6P | 0.72 | |
331 | (2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]- 1-HEPTYLUREIDO)ETHYL]PHENOXY)-2- METHYLBUTYRIC ACID | A,B | 1Y0S | 0.72 | |
U04 | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN- 3-YL)-PROPYL]-PHENYLCARBAMOYL}- METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | A | 4UPJ | 0.79 | |
418 | 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO- 3-{4-[(2-CARBOXY-PHENYL)-OXALYL- AMINO]-PHENYL}-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1PH0 | 0.73 | |
MXX | 5,8-dimethoxy-1,4-dimethylquinolin- 2(1H)-one | A,B | 3GAM | 0.72 | |
4BG | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.76 | |
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 | 0.73 | |
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 | 0.73 | |
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 | 0.73 | |
PZ1 | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7- DIHYDROQUINOLIN-7-YL]OXY}METHYL)- 1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN- 2-ONE | B | 2FS4 | 0.76 | |
PZ1 | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7- DIHYDROQUINOLIN-7-YL]OXY}METHYL)- 1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN- 2-ONE | A | 2BKS | 0.76 | |
346 | (R)-(4-CARBAMIMIDOYL-PHENYLAMINO)- [5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO- FURAN-3-YLOXY]-PHENYL]-ACETIC ACID | H | 2BZ6 | 0.74 | |
4BU | (2S)-2-amino-5-[[4-[(2S)-2-hydroxy- 2-phenyl-ethoxy]phenyl]amino]-5- oxo-pentanoic acid | A | 3CHS | 0.73 | |
FLG | FLUORESCEINYLTHIOUREIDO | A,B | 1OCB | 0.78 | |
MDC | N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN- 3-CARBOXAMIDE | A | 1A54 | 0.74 | |
R36 | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LEE | 0.71 | |
4BO | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.74 | |
RHQ | RHODAMINE 6G | A,B,D,E | 1JUS | 0.74 | |
RHQ | RHODAMINE 6G | A,B,D,E | 3BR5 | 0.74 | |
RHQ | RHODAMINE 6G | A,D,E | 3BR6 | 0.74 | |
RHQ | RHODAMINE 6G | A,B | 3D6Z | 0.74 | |
RHQ | RHODAMINE 6G | A | 1OY8 | 0.74 | |
RHQ | RHODAMINE 6G | A | 1T9V | 0.74 | |
T1D | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5- THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | A | 2BGD | 0.76 | |
NBQ | 2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]- 3-OXOPROP-1-ENYL}AMINO)TYROSINE | A | 1SII | 0.81 | |
BPD | N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE- 4,6-DICARBOXYLIC ACID | A | 1DVY | 0.72 | |
DRF | (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN- 10-YL)ETHOXY]PHENYL}PROPANOIC ACID | A | 1NYX | 0.75 | |
C18 | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]- 2H-CHROMEN-2-ONE | A,B | 2V61 | 0.78 | |
SN9 | 8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPI | 0.72 | |
RQ3 | 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL- METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID | A,B,C,D | 1G9V | 0.73 | |
GUM | 4-METHYL-UMBELLIFERYL-N-ACETYL- CHITOBIOSE | A | 1BB7 | 0.72 |