Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00597020
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 |
GW9![]() | 2-chloro-5-nitro-N-phenylbenzamide | A,D | 3E00 | 0.98 | ![]() |
3AB![]() | 3-aminobenzamide | A,B,C,D | 3GOY | 0.72 | ![]() |
HFT![]() | HYDROXYFLUTAMIDE | A | 2AX6 | 0.72 | ![]() |
IXM![]() | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1Q41 | 0.7 | ![]() |
IXM![]() | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1UNH | 0.7 | ![]() |
IXM![]() | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A | 2QKR | 0.7 | ![]() |
BOS![]() | N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE | A | 2HD6 | 0.72 | ![]() |
679![]() | 2-CHLORO-5-[4-(3-CHLORO-PHENYL)- 2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL- 3-YLAMINO]-BENZOIC ACID | A,B | 1Q4L | 0.74 | ![]() |
AAP![]() | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA- (2-ACETYL-5-METHYLANILINO)ACETAMIDE | A | 1VRU | 0.76 | ![]() |
AAP![]() | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA- (2-ACETYL-5-METHYLANILINO)ACETAMIDE | A | 1HPZ | 0.76 | ![]() |
AN9![]() | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE | A,B | 1XCU | 0.71 | ![]() |
3BM![]() | 2-[(2-chloro-4-iodophenyl)amino]- N-{[(2R)-2,3-dihydroxypropyl]oxy}- 3,4-difluorobenzamide | A | 3EQC | 0.74 | ![]() |
BAN![]() | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.73 | ![]() |
468![]() | (3S)-N-(3-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7P | 0.73 | ![]() |
744![]() | (3S)-N-(5-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7N | 0.72 | ![]() |
CRI![]() | A,B | 1VKG | 0.77 | ![]() | |
SN2![]() | 5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4- DINTRO-BENZAMIDE | A,B | 1OO6 | 0.73 | ![]() |
UC4![]() | 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO- 2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE | A | 1RT7 | 0.71 | ![]() |
CB1![]() | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1XI2 | 0.71 | ![]() |
CB1![]() | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1ZX1 | 0.71 | ![]() |
CB1![]() | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 1IDT | 0.71 | ![]() |
CB1![]() | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | A,B | 2BZS | 0.71 | ![]() |
ICL![]() | [1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)- 2-METHYL-PROPYL]-CARBAMIC ACID TERT- BUTYL ESTER | A | 1INC | 0.71 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B | 3CFQ | 0.7 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1SV9 | 0.7 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1NR6 | 0.7 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 3HWV | 0.7 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | B | 1DVX | 0.7 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B6D | 0.7 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B,C,D | 1PXX | 0.7 | ![]() |
DIF![]() | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B17 | 0.7 | ![]() |
H18![]() | 6-CHLORO-4-(CYCLOHEXYLSULFINYL)- 3-PROPYLQUINOLIN-2(1H)-ONE | A | 1TL1 | 0.71 | ![]() |
12B![]() | BENZO[CD]INDOL-2(1H)-ONE | A,B | 2F67 | 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 | 0.74 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B | 1T64 | 0.72 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B | 1C3R | 0.72 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B,C | 3F0R | 0.72 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B,C | 3C10 | 0.72 | ![]() |
AVF![]() | 1-{2-[3-(2-Chloro-4,5-difluoro- benzoyl)-ureido]-4-fluoro-phenyl}- piperidine-4-carboxylic acid | A,B | 3CEJ | 0.72 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.71 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.71 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.71 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.71 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.71 | ![]() |
H16![]() | 6-CHLORO-4-(CYCLOHEXYLSULFANYL)- 3-PROPYLQUINOLIN-2(1H)-ONE | A | 1TKZ | 0.72 | ![]() |
NNC![]() | O-[2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate | A | 2VG5 | 0.73 | ![]() |