Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00877980
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 |
DPT![]() | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.72 | ![]() |
THA![]() | TACRINE | A,B | 2AOW | 0.71 | ![]() |
THA![]() | TACRINE | A,B,C,D,E,F | 1MX1 | 0.71 | ![]() |
THA![]() | TACRINE | A,B | 2AOX | 0.71 | ![]() |
THA![]() | TACRINE | A | 1ACJ | 0.71 | ![]() |
PRM![]() | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.7 | ![]() |
255![]() | N-(tert-butyl)-4-[5-(pyridin-2- ylamino)quinolin-3-yl]benzenesulfonamide | A,B | 2R9S | 0.77 | ![]() |
SBR![]() | (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF7 | 0.71 | ![]() |
CKI![]() | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE- 8-SULFONAMIDE | A | 2CSN | 0.74 | ![]() |
S58![]() | 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL- 5-PARABROMOPHENYLPYRAZOLE | A,B,C,D | 1CX2 | 0.72 | ![]() |
S58![]() | 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL- 5-PARABROMOPHENYLPYRAZOLE | A,B | 6COX | 0.72 | ![]() |
A8N![]() | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.71 | ![]() |
IQB![]() | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]- 5-ISOQUINOLINE SULFONAMIDE | E | 1YDT | 0.87 | ![]() |
IQB![]() | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]- 5-ISOQUINOLINE SULFONAMIDE | A | 3FMD | 0.87 | ![]() |
I40![]() | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.7 | ![]() |
5CH![]() | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.72 | ![]() |
CMW![]() | 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin- 4-ylcarbamate | A | 2W0B | 0.73 | ![]() |
PIU![]() | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM | A | 1ZE8 | 0.77 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 1LIH | 0.72 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 2LIG | 0.72 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.72 | ![]() |
CLQ![]() | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.71 | ![]() |
L12![]() | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.7 | ![]() |
CM6![]() | (2S)-2-[(2,1,3-BENZOTHIADIAZOL- 4-YLSULFONYL)AMINO]-2-PHENYL-N- PYRIDIN-4-YLACETAMIDE | A | 2CIB | 0.72 | ![]() |
H52![]() | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 1Q8U | 0.77 | ![]() |
H52![]() | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A,B | 3D9V | 0.77 | ![]() |
H52![]() | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNH | 0.77 | ![]() |
H52![]() | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNL | 0.77 | ![]() |
IQU![]() | N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE | A,B,C,D | 2CKE | 0.81 | ![]() |
IQP![]() | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.8 | ![]() |
QMS![]() | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.81 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 1JT6 | 0.73 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR2 | 0.73 | ![]() |
DEQ![]() | DEQUALINIUM | A | 1OYD | 0.73 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BT9 | 0.73 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BTJ | 0.73 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR1 | 0.73 | ![]() |
PRL![]() | PROFLAVIN | H,I | 1BCU | 0.71 | ![]() |
PRL![]() | PROFLAVIN | A,B,D,E | 1QVT | 0.71 | ![]() |
PRL![]() | PROFLAVIN | A,B | 2KD4 | 0.71 | ![]() |
PRL![]() | PROFLAVIN | A | 1QVU | 0.71 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.7 | ![]() |
M77![]() | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2ESM | 0.78 | ![]() |
M77![]() | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2F2U | 0.78 | ![]() |
M77![]() | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 2GNI | 0.78 | ![]() |
M77![]() | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 1Q8W | 0.78 | ![]() |
PF7![]() | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.72 | ![]() |
SBS![]() | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF8 | 0.71 | ![]() |
TOT![]() | 1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)- BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO- 1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM | A | 108D | 0.7 | ![]() |
5IQ![]() | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.75 | ![]() |
IQS![]() | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.81 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.72 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.72 | ![]() |