Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02841372
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 |
TFP![]() | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A,B | 1WRK | 0.76 | ![]() |
TFP![]() | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A | 1CTR | 0.76 | ![]() |
TFP![]() | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A,B,C,D,E,F | 1WRL | 0.76 | ![]() |
TFP![]() | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A | 1A29 | 0.76 | ![]() |
TFP![]() | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A | 1LIN | 0.76 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.74 | ![]() |
5BM![]() | (2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile | A | 3EQH | 0.76 | ![]() |
1MR![]() | N-METHYLANILINE | X | 2OTZ | 0.75 | ![]() |
OSP![]() | SULTHIAME | A | 2Q1Q | 0.72 | ![]() |
FOE![]() | 2-(2-AMINO-3-OXO-PROPYLSULFANYL)- N-(4-FLUORO-PHENYL)-N-ISOPROPYL- ACETAMIDE | B | 1BX9 | 0.7 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.77 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.77 | ![]() |
GNR![]() | 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN- 2-YL)-N-HYDROXYACETAMIDE | A,B | 1S17 | 0.72 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.73 | ![]() |
171![]() | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.74 | ![]() |
NHP![]() | 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID | A,B | 1CX9 | 0.71 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.71 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.71 | ![]() |
PMZ![]() | 1-[10-(3-DIMETHYLAMINO-PROPYL)- 10H-PHENOTHIAZIN-2-YL]-ETHANONE | A | 1LVJ | 0.7 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 3E85 | 0.7 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 2ZJF | 0.7 | ![]() |
EBS![]() | 3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO- 1,3-BENZOTHIAZOL-2(3H)-YLIDENE)HYDRAZINO]- 6-SULFO-3H-1,3-BENZOTHIAZOL-1-IUM | A | 1UVW | 0.7 | ![]() |
EBS![]() | 3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO- 1,3-BENZOTHIAZOL-2(3H)-YLIDENE)HYDRAZINO]- 6-SULFO-3H-1,3-BENZOTHIAZOL-1-IUM | A | 1OF0 | 0.7 | ![]() |
LJG![]() | N,N'-(iminodiethane-2,1-diyl)bis[4- amino-N-(2-methylpropyl)benzenesulfonamide] | B | 3BGB | 0.74 | ![]() |
NYL![]() | N-ALLYL-ANILINE | A | 1OVK | 0.77 | ![]() |
264![]() | (phenylamino)acetonitrile | A | 2RBN | 0.77 | ![]() |