Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00590541
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 |
GWE![]() | N-{4-[amino(dihydroxy)-lambda~4~- sulfanyl]-2-methylphenyl}-2-(4- chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide | A,B | 3DMJ | 0.72 | ![]() |
GWE![]() | N-{4-[amino(dihydroxy)-lambda~4~- sulfanyl]-2-methylphenyl}-2-(4- chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide | A,B | 3DLG | 0.72 | ![]() |
GWE![]() | N-{4-[amino(dihydroxy)-lambda~4~- sulfanyl]-2-methylphenyl}-2-(4- chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide | A,B | 3DM2 | 0.72 | ![]() |
TYL![]() | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYM | 0.71 | ![]() |
TYL![]() | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYL | 0.71 | ![]() |
TYL![]() | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2OCU | 0.71 | ![]() |
TYL![]() | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A,B,C,D,F | 3DJI | 0.71 | ![]() |
TYL![]() | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2DPZ | 0.71 | ![]() |
CLW![]() | CHLORZOXAZONE | A,B | 1M9J | 0.72 | ![]() |
CLW![]() | CHLORZOXAZONE | A,B | 1M8D | 0.72 | ![]() |
B5R![]() | (2S)-3-(4-chloro-3-fluorophenoxy)- N-[4-cyano-3-(trifluoromethyl)phenyl]- 2-hydroxy-2-methylpropanamide | A | 3B5R | 0.81 | ![]() |
B68![]() | (2S)-3-[4-(acetylamino)phenoxy]- 2-hydroxy-2-methyl-N-[4-nitro-3- (trifluoromethyl)phenyl]propanamide | A | 3B68 | 0.76 | ![]() |
H20![]() | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN- 2(1H)-ONE | A | 1TL3 | 0.75 | ![]() |
UC1![]() | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4- CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)- PHENYL]-AMIDE | A | 1JLG | 0.71 | ![]() |
UC1![]() | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4- CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)- PHENYL]-AMIDE | A | 1RT4 | 0.71 | ![]() |
UC1![]() | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4- CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)- PHENYL]-AMIDE | A,B | 1S1T | 0.71 | ![]() |
UC1![]() | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4- CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)- PHENYL]-AMIDE | A | 1S1W | 0.71 | ![]() |
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 | ![]() |
GFA![]() | 2-[4-chloro-2-(phenylcarbonyl)phenoxy]- N-phenylacetamide | A | 3DLE | 0.77 | ![]() |
EFZ![]() | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL- 4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H- 3,1-BENZOXAZIN-2-ONE | A | 1FKO | 0.71 | ![]() |
EFZ![]() | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL- 4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H- 3,1-BENZOXAZIN-2-ONE | A | 1IKW | 0.71 | ![]() |
EFZ![]() | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL- 4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H- 3,1-BENZOXAZIN-2-ONE | A | 1JKH | 0.71 | ![]() |
EFZ![]() | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL- 4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H- 3,1-BENZOXAZIN-2-ONE | A | 1FK9 | 0.71 | ![]() |
EFZ![]() | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL- 4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H- 3,1-BENZOXAZIN-2-ONE | A | 1IKV | 0.71 | ![]() |
TN5![]() | 2-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOL | A,B | 1ZW1 | 0.71 | ![]() |
KIN![]() | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3- [3-(TRIFLUOROMETHYL)PHENYL]UREA | A | 2HZN | 0.71 | ![]() |
331![]() | (2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]- 1-HEPTYLUREIDO)ETHYL]PHENOXY)-2- METHYLBUTYRIC ACID | A,B | 1Y0S | 0.71 | ![]() |
D56![]() | 4-(2-aminoethoxy)-N-(3-chloro-2- ethoxy-5-piperidin-1-ylphenyl)- 3,5-dimethylbenzamide | A | 2VIW | 0.72 | ![]() |
4BQ![]() | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.74 | ![]() |
H12![]() | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN- 2(1H)-ONE | A | 1TKT | 0.75 | ![]() |
ILB![]() | A | 2FPT | 0.72 | ![]() | |
L05![]() | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.71 | ![]() |
LO2![]() | 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}- 1,1,1,3,3,3-hexafluoropropan-2- ol | A,B,C,D | 3FAL | 0.72 | ![]() |
FEN![]() | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | A | 1FEL | 0.71 | ![]() |
N4E![]() | N-(4-ethoxyphenyl)acetamide | A,B,C,D | 3EBS | 0.8 | ![]() |
BN4![]() | 4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)- 2,3-DIMETHYLPHENOXY]BUTANOIC ACID | A | 1WV0 | 0.74 | ![]() |
433![]() | 2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO- PHENYL)-ETHYL]-3-(2,3-DICHLORO- PHENYL)-UREIDO]-PROPYL}-PHENOXY)- 2-METHYL-PROPIONIC ACID | A,B | 1GWX | 0.73 | ![]() |
4BU![]() | (2S)-2-amino-5-[[4-[(2S)-2-hydroxy- 2-phenyl-ethoxy]phenyl]amino]-5- oxo-pentanoic acid | A | 3CHS | 0.71 | ![]() |
IHU![]() | N-(2-CHLORO-4-FLUOROBENZOYL)-N'- (5-HYDROXY-2-METHOXYPHENYL)UREA | A,B | 2ATI | 0.71 | ![]() |
BN2![]() | 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID | A | 1WUT | 0.73 | ![]() |
ILH![]() | A | 2FQI | 0.73 | ![]() | |
3FT![]() | A | 2BXV | 0.74 | ![]() | |
MCM![]() | 7-AMINO-4-METHYL-CHROMEN-2-ONE | A,B,C,D,I,J, K,L | 3EWF | 0.71 | ![]() |
MCM![]() | 7-AMINO-4-METHYL-CHROMEN-2-ONE | A,B,I,L | 2V5W | 0.71 | ![]() |
MCM![]() | 7-AMINO-4-METHYL-CHROMEN-2-ONE | B | 1VDN | 0.71 | ![]() |
MCM![]() | 7-AMINO-4-METHYL-CHROMEN-2-ONE | C | 1VAI | 0.71 | ![]() |
451![]() | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin- 2-yl)acetamide | A | 3FYX | 0.75 | ![]() |
L35![]() | 2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]- 2-METHYLPROPANOIC ACID | A,B | 2D5X | 0.75 | ![]() |
L35![]() | 2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]- 2-METHYLPROPANOIC ACID | A,B,C,D | 2D5Z | 0.75 | ![]() |
L35![]() | 2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]- 2-METHYLPROPANOIC ACID | A,B,C,D | 2D60 | 0.75 | ![]() |
L1R![]() | 4-(2-AMINOETHOXY)-3,5-DICHLORO- N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE | A | 2VIP | 0.73 | ![]() |
4BS![]() | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.82 | ![]() |
XNI![]() | (11S)-10-acetyl-11-[4-(benzyloxy)- 3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11- hexahydro-1H-dibenzo[b,e][1,4]diazepin- 1-one | A,B | 3CSO | 0.7 | ![]() |
GP8![]() | 1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREA | A | 1BJV | 0.74 | ![]() |
RQ3![]() | 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL- METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID | A,B,C,D | 1G9V | 0.74 | ![]() |
617![]() | 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID | A | 2QE5 | 0.76 | ![]() |
BN5![]() | 5-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)- 2-METHYLPHENOXY]PENTANOIC ACID | A | 1WV1 | 0.71 | ![]() |
T1D![]() | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5- THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | A | 2BGD | 0.71 | ![]() |
4BO![]() | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.74 | ![]() |
FHM![]() | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX8 | 0.74 | ![]() |
FHM![]() | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX7 | 0.74 | ![]() |
FHM![]() | S-3-(4-FLUOROPHENOXY)-2-HYDROXY- 2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AXA | 0.74 | ![]() |
VG2![]() | 4-(2-aminoethoxy)-N-(3-chloro-5- piperidin-1-ylphenyl)-3,5-dimethylbenzamide | A | 2VIV | 0.74 | ![]() |
IC1![]() | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]- INDOLIN-2-ONE | A,B | 1EH4 | 0.71 | ![]() |
QUM![]() | QUINACRINE MUSTARD | A,B | 1GXF | 0.72 | ![]() |
4BG![]() | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.82 | ![]() |
B67![]() | (2S)-2-hydroxy-2-methyl-N-[4-nitro- 3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide | A | 3B67 | 0.73 | ![]() |
3B6![]() | (2S)-N-(4-cyano-3-iodophenyl)-3- (4-cyanophenoxy)-2-hydroxy-2-methylpropanamide | A | 3B65 | 0.72 | ![]() |
BN3![]() | 4-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACID | A | 1WUY | 0.73 | ![]() |