Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02517652
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 |
A4C![]() | 9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N- [2-(DIMETHYLAMINO)ETHYL]ACRIDINE- 4-CARBOXAMIDE} | A | 2GWA | 0.73 | ![]() |
A4C![]() | 9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N- [2-(DIMETHYLAMINO)ETHYL]ACRIDINE- 4-CARBOXAMIDE} | A,B | 2GB9 | 0.73 | ![]() |
LZ9![]() | {[(2,6-difluorophenyl)carbonyl]amino}- N-(4-fluorophenyl)-1H-pyrazole- 3-carboxamide | A | 2VTP | 0.71 | ![]() |
2PU![]() | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- (5-PYRROLIDIN-2-YL-1H-PYRAZOL-3- YL)-UREA | A | 1GIJ | 0.73 | ![]() |
464![]() | 3-[5-({5-[(AMINOCARBONYL)AMINO]- 2-OXO-2H-INDOL-3-YL}METHYL)-1H- PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE | A | 2PE2 | 0.7 | ![]() |
D31![]() | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)- N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2- C]PYRAZOL-5-YL)ACETAMIDE | A | 2B55 | 0.79 | ![]() |
B49![]() | N-[2-(diethylamino)ethyl]-5-[(Z)- (5-fluoro-2-oxo-1,2-dihydro-3H- indol-3-ylidene)methyl]-2,4-dimethyl- 1H-pyrrole-3-carboxamide | A,B | 3G0F | 0.72 | ![]() |
B49![]() | N-[2-(diethylamino)ethyl]-5-[(Z)- (5-fluoro-2-oxo-1,2-dihydro-3H- indol-3-ylidene)methyl]-2,4-dimethyl- 1H-pyrrole-3-carboxamide | A | 3G0E | 0.72 | ![]() |
CMI![]() | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL- 1H-INDOLE-2-CARBOXYLIC ACID 3,5- DIMETHYL-BENZYLAMIDE | B | 1LQD | 0.73 | ![]() |
83H![]() | 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12- hexahydropyrazolo[4',3':6,7]cyclohepta[1,2- b]pyrrolo[2,3-f]indol-9(1H)-one | A,B | 3COH | 0.7 | ![]() |
DRO![]() | 1-(2-{[(3S)-3-(aminomethyl)-3,4- dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)- 4-chloro-5-methyl-N,N-diphenyl- 1H-pyrazole-3-carboxamide | A,B | 2W3L | 0.79 | ![]() |
BD4![]() | 6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4- C]CARBAZOLE-1,3(2H,6H)-DIONE | A | 1WVX | 0.72 | ![]() |
BDC![]() | BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1K2L | 0.73 | ![]() |
9AD![]() | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 465D | 0.7 | ![]() |
9AD![]() | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 452D | 0.7 | ![]() |
LZD![]() | 4-{[(2,6-difluorophenyl)carbonyl]amino}- N-[(3S)-piperidin-3-yl]-1H-pyrazole- 3-carboxamide | A | 2VTT | 0.71 | ![]() |
306![]() | 3-[5-(PIPERIDIN-1-YLMETHYL)-1H- INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN- 2(1H)-ONE | A | 2HY0 | 0.71 | ![]() |
PDS![]() | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL- 1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | A,B | 2I0E | 0.71 | ![]() |
19A![]() | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.75 | ![]() |
BI8![]() | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A,B | 2VD5 | 0.71 | ![]() |
BI8![]() | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1UVR | 0.71 | ![]() |
GEQ![]() | 5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN- 1-YL]CARBONYL}-1H-INDOLE | A,B,C,D,E,F | 1P44 | 0.71 | ![]() |
K2C![]() | 6,7,12,13-tetrahydro-5H-indolo[2,3- a]pyrrolo[3,4-c]carbazol-5-one | A | 2R0P | 0.71 | ![]() |
NOW![]() | Nalpha-[(3-tert-butyl-1-methyl- 1H-pyrazol-5-yl)carbonyl]-N-[(2Z)- 2-iminoethyl]-3-methyl-L-phenylalaninamide | A,B,C,D | 3HHA | 0.76 | ![]() |
BRA![]() | 9-[4-(n,n-dimethylamino)phenylamino]- 3,6-bis(3-pyrrolidinopropionamido) acridine | A | 3CE5 | 0.71 | ![]() |
33A![]() | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OK1 | 0.72 | ![]() |
33A![]() | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJI | 0.72 | ![]() |
LZA![]() | {[(2,6-difluorophenyl)carbonyl]amino}- N-piperidin-4-yl-1H-pyrazole-3- carboxamide | A | 2VTQ | 0.71 | ![]() |
4QC![]() | 3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL- 4-YL}-7-OXO-3-(TRIFLUOROMETHYL)- 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4- C]PYRIDIN-1-YL]BENZAMIDE | A | 2G00 | 0.81 | ![]() |
ZAM![]() | 3-[(ACETYL-METHYL-AMINO)-METHYL]- 4-AMINO-N-METHYL-N-(1-METHYL-1H- INDOL-2-YLMETHYL)-BENZAMIDE | A,B | 1LX6 | 0.72 | ![]() |