Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01919616
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 |
237 | (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~- [3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL- 4-YL]-4-METHOXYPYRROLIDINE-1,2- DICARBOXAMIDE | A | 2PR3 | 0.74 | |
F83 | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)- 1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2OBF | 0.71 | |
F83 | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)- 1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2G8N | 0.71 | |
FXI | 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)- N-[3-fluoro-2'-(methylsulfonyl)biphenyl- 4-yl]cyclopropanecarboxamide | A | 2Q1J | 0.73 | |
468 | (3S)-N-(3-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7P | 0.72 | |
521 | 5-(4-CHLORO-5-PHENYL-3-THIENYL)- 1,2,5-THIADIAZOLIDIN-3-ONE 1,1- DIOXIDE | A | 2NTA | 0.72 | |
DOE | (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)- ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE- N,N',N'',N'''-TETRAACETATE | A,B,C,D | 1NC2 | 0.74 | |
ME1 | 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN- 1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE- 2-CARBOXAMIDE | A | 2P93 | 0.74 | |
ARR | N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE- 2-CARBOXIMIDAMIDE | A,B | 1VAF | 0.73 | |
ARR | N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE- 2-CARBOXIMIDAMIDE | A | 1VAG | 0.73 | |
RIV | 5-chloro-N-({(5S)-2-oxo-3-[4-(3- oxomorpholin-4-yl)phenyl]-1,3-oxazolidin- 5-yl}methyl)thiophene-2-carboxamide | A | 2W26 | 0.73 | |
H18 | 6-CHLORO-4-(CYCLOHEXYLSULFINYL)- 3-PROPYLQUINOLIN-2(1H)-ONE | A | 1TL1 | 0.74 | |
4CP | 2-[2-(4-CHLORO-PHENYLSULFANYL)- ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)- PROPIONAMIDE | H,I | 2BVR | 0.78 | |
744 | (3S)-N-(5-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7N | 0.72 | |
ME5 | 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN- 1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE- 2-CARBOXAMIDE | A | 2P95 | 0.73 | |
AZX | 4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO- 2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]- N,N-DIMETHYLBENZAMIDE | A | 2Q8G | 0.73 | |
BQM | 3-({4-[(1E)-3-morpholin-4-yl-3- oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline | B,C | 3BQM | 0.75 | |
XLC | 3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]- 4-[(4-METHYL-1-PIPERAZINYL)METHYL]- 2-THIOPHENECARBOXAMIDE | A,L | 1MQ5 | 0.74 | |
H16 | 6-CHLORO-4-(CYCLOHEXYLSULFANYL)- 3-PROPYLQUINOLIN-2(1H)-ONE | A | 1TKZ | 0.75 | |
NNC | O-[2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate | A | 2VG5 | 0.7 | |
TMJ | N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2ONY | 0.7 | |
TMJ | N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2ONZ | 0.7 | |
GSV | 2-(5-chlorothiophen-2-yl)-N-{(3S)- 1-[3-fluoro-2'-(methylsulfonyl)biphenyl- 4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide | A | 2VH6 | 0.71 | |
I50 | N-[2-({[amino(imino)methyl]amino}oxy)ethyl]- 2-{6-chloro-3-[(2,2-difluoro-2- phenylethyl)amino]-2-fluorophenyl}acetamide | B | 2R2M | 0.7 | |
2CE | N-[2-(2-CARBAMOYLMETHOXY-ETHOXY)- ETHYL]-2-[2-(4-CHLORO-PHENYLSULFANYL)- ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)- PROPIONAMIDE | H,I | 2BVS | 0.8 |