Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02965385
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 |
QMS![]() | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.72 | ![]() |
F11![]() | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.76 | ![]() |
335![]() | [4-(2-(1H-1,2,3-BENZOTRIAZOL-1- YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}- 2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID | A | 1Q6J | 0.73 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.8 | ![]() |
DPT![]() | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.78 | ![]() |
T50![]() | 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)- 4-METHYL-1H-BENZIMIDAZOLE | A | 2B6A | 0.72 | ![]() |
213![]() | A,B | 1Q6P | 0.71 | ![]() | |
I40![]() | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.78 | ![]() |
2AQ![]() | QUINOLIN-2-AMINE | A | 2OHL | 0.74 | ![]() |
THA![]() | TACRINE | A,B | 2AOW | 0.8 | ![]() |
THA![]() | TACRINE | A,B,C,D,E,F | 1MX1 | 0.8 | ![]() |
THA![]() | TACRINE | A,B | 2AOX | 0.8 | ![]() |
THA![]() | TACRINE | A | 1ACJ | 0.8 | ![]() |
PRM![]() | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.75 | ![]() |
DCU![]() | A,B | 1J07 | 0.74 | ![]() | |
NSC![]() | N,N'-BIS(4-AMINO-2-METHYLQUINOLIN- 6-YL)UREA | A,B | 1PWP | 0.72 | ![]() |
214![]() | 6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL- 1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}- 2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN- 8-YLPHOSPHONIC ACID | A,B | 1Q6S | 0.74 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.75 | ![]() |
BMO![]() | N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9- YLAMINO)PROPYL]PROPANE-1,3-DIAMINE | A | 2GJB | 0.76 | ![]() |
LG1![]() | 3,11-DIFLUORO-6,8,13-TRIMETHYL- 8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM | A,B,D | 1NZM | 0.77 | ![]() |
DX2![]() | 6-phenylpteridine-2,4,7-triamine | A,B,C,D | 3BME | 0.73 | ![]() |
AA7![]() | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLHEPTANE-1,7-DIAMINE | A | 2CKM | 0.75 | ![]() |
MM0![]() | N,N'-(dibenzo[b,j][1,7]phenanthroline- 2,10-diyldimethanediyl)dipropan- 1-amine | B | 2JWQ | 0.76 | ![]() |
P27![]() | {[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)- 2-(3,4-DIFLUOROPHENYL)PROPANE-1,3- DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID) | A | 1Q6M | 0.73 | ![]() |
RKA![]() | N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1- PHENYLENE)DIBENZENECARBOXIMIDAMIDE | A | 2GYX | 0.71 | ![]() |
FPH![]() | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4- YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL | A | 1OZ1 | 0.73 | ![]() |
PRL![]() | PROFLAVIN | H,I | 1BCU | 0.79 | ![]() |
PRL![]() | PROFLAVIN | A,B,D,E | 1QVT | 0.79 | ![]() |
PRL![]() | PROFLAVIN | A,B | 2KD4 | 0.79 | ![]() |
PRL![]() | PROFLAVIN | A | 1QVU | 0.79 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 1JT6 | 0.74 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR2 | 0.74 | ![]() |
DEQ![]() | DEQUALINIUM | A | 1OYD | 0.74 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BT9 | 0.74 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BTJ | 0.74 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR1 | 0.74 | ![]() |
A8N![]() | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.75 | ![]() |
9AC![]() | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.72 | ![]() |
2PT![]() | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.71 | ![]() |
HUX![]() | 3-CHLORO-9-ETHYL-6,7,8,9,10,11- HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN- 12-AMINE | A | 1E66 | 0.72 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 1LIH | 0.79 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 2LIG | 0.79 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.79 | ![]() |