Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00386375
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 |
RAJ | N-{3-[3-(DIMETHYLAMINO)PROPYL]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE | X | 2OO8 | 0.74 | |
RAJ | N-{3-[3-(DIMETHYLAMINO)PROPYL]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE | A | 3BE2 | 0.74 | |
497 | 6-[AMINO(IMINO)METHYL]-N-[(4R)- 4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 6-YL]-2-NAPHTHAMIDE | A | 1OWD | 0.74 | |
2FR | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.76 | |
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 | 0.74 | |
MUH | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN- 2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | A | 2OSC | 0.72 | |
PB4 | N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUD | 0.7 | |
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 | 0.72 | |
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 | 0.73 | |
IYZ | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2- B]PYRIDAZIN-3-YL}PHENYL)ETHANONE | B | 2C3I | 0.71 | |
279 | N-ethyl-4-{[5-(methoxycarbamoyl)- 2-methylphenyl]amino}-5-methylpyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG5 | 0.71 | |
C92 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)- 4-methyl-benzene-1,3-dicarboxamide | A,B | 3CPB | 0.74 | |
XXZ | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE | A,B | 3E65 | 0.72 | |
242 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL- N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2OFV | 0.71 | |
F13 | 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide | A,B | 3G35 | 0.72 | |
GK6 | N-{4'-[(cyclopropylmethyl)carbamoyl]- 6-methylbiphenyl-3-yl}-2-morpholin- 4-ylpyridine-4-carboxamide | A | 3D83 | 0.76 | |
9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 465D | 0.72 | |
9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 452D | 0.72 | |
292 | N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)- 2-(2-NAPHTHYL)ACETAMIDE | A,C,D | 1VYW | 0.76 | |
1PU | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GII | 0.72 | |
1PU | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GIH | 0.72 | |
1AU | 1-[1-(3-aminophenyl)-3-tert-butyl- 1H-pyrazol-5-yl]-3-naphthalen-1- ylurea | A | 3F3T | 0.72 | |
N4D | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4- d]pyrimidin-4-yl)amino]benzamide | A | 3CG2 | 0.76 | |
003 | 5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN- 1-YLMETHYL)-3-PYRIDIN-4-YL-2H-PYRAZOLO[3,4- D]PYRIMIDINE-4,6(5H,7H)-DIONE | A,B | 2JFZ | 0.72 | |
CL3 | N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZOLO[4,3- B]PYRIDAZIN-3-YL)PHENYL]ACETAMIDE | A | 1Y2G | 0.7 | |
287 | 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}- 5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG6 | 0.73 | |
3FR | 3'-chloro-5'-(3-methyl-6-{[(1S)- 1-phenylethyl]amino}-1H-pyrazolo[4,3- c]pyridin-1-yl)biphenyl-2-carboxamide | A | 3DBD | 0.75 | |
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 | 0.71 | |
MPZ | 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]- N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN- 2-YL)AMINO]PHENYL}BENZAMIDE | A | 1Y57 | 0.71 | |
G44 | 4-({[4-(3-METHYLBENZOYL)PYRIDIN- 2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | C,D | 2PKS | 0.74 | |
303 | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWK | 0.75 | |
LI9 | 4-(4-FLUOROPHENYL)-1-METHYL-5-(2- {[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN- 4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO- 3H-PYRAZOL-3-ONE | A | 1YWR | 0.7 | |
TTT | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.7 | |
D15 | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}- 1H-indazol-3-yl)benzamide | A,B,C,D | 2VX3 | 0.77 | |
155 | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-3,4-DIHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWJ | 0.72 | |
PY3 | 5-[AMINO(IMINO)METHYL]-2-[({[6- [3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]- 3-(ISOPROPYLAMINO)-2-OXOPYRAZIN- 1(2H)-YL]ACETYL}AMINO)METHYL]-N- PYRIDIN-4-YLBENZAMIDE | H,L | 1Z6J | 0.72 | |
A17 | N-cyclopropyl-4-methyl-3-[1-(2- methylphenyl)phthalazin-6-yl]benzamide | A,B,C,D | 3DS6 | 0.77 | |
D31 | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)- N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2- C]PYRAZOL-5-YL)ACETAMIDE | A | 2B55 | 0.72 | |
7AD | 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE | A,B | 1RQY | 0.73 | |
N5B | N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE | A | 1VYZ | 0.77 | |
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 | 0.76 | |
PB3 | N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUC | 0.72 | |
AT6 | N-[2-(6-AMINO-4-METHYLPYRIDIN-2- YL)ETHYL]-4-CYANOBENZAMIDE | A,B | 3E68 | 0.76 | |
UI1 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-4-(PYRIMIDIN- 2-YLAMINO)-2-NAPHTHAMIDE | A | 1SQA | 0.72 | |
740 | N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN- 2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN- 1-YLPHENYL)ACETAMIDE | A | 2R64 | 0.73 | |
239 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE | A | 1OWH | 0.73 | |
CMI | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL- 1H-INDOLE-2-CARBOXYLIC ACID 3,5- DIMETHYL-BENZYLAMIDE | B | 1LQD | 0.71 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK3 | 0.71 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK7 | 0.71 | |
SX7 | 2-amino-5-[3-(1-ethyl-1H-pyrazol- 5-yl)-1H-pyrrolo[2,3-b]pyridin- 5-yl]-N,N-dimethylbenzamide | A,B | 3DK6 | 0.71 | |
P04 | 19-(cyclopropylamino)-4,6,7,15- tetrahydro-5H-16,1-(azenometheno)- 10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin- 8(9H)-one | A | 3BE9 | 0.76 | |
P40 | N-cyclopropyl-4-methyl-3-{2-[(2- morpholin-4-ylethyl)amino]quinazolin- 6-yl}benzamide | A | 3DT1 | 0.7 | |
675 | 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL- 2-NAPHTHAMIDE | A | 1OWE | 0.71 | |
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN2 | 0.73 | |
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN1 | 0.73 |