Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00680163
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 |
BRA | 9-[4-(n,n-dimethylamino)phenylamino]- 3,6-bis(3-pyrrolidinopropionamido) acridine | A | 3CE5 | 0.73 |  |
TZ5 | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2- [(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]- 1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM | A,B | 1Q83 | 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 | 0.74 | |
C19 | 3-(2-aminoquinazolin-6-yl)-1-(3,3- dimethylindolin-6-yl)-4-methylpyridin- 2(1H)-one | A,B | 3CP9 | 0.71 | |
1N8 | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[2-(METHYLAMINO)QUINAZOLIN-6- YL]BENZAMIDE | A,B | 2OG8 | 0.71 | |
1AU | 1-[1-(3-aminophenyl)-3-tert-butyl- 1H-pyrazol-5-yl]-3-naphthalen-1- ylurea | A | 3F3T | 0.74 | |
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 | |
6NP | 6((S)-3-BENZYLPIPERAZIN-1-YL)-3- (NAPHTHALEN-2-YL)-4-(PYRIDIN-4- YL)PYRAZINE | A | 1YQJ | 0.74 | |
279 | N-ethyl-4-{[5-(methoxycarbamoyl)- 2-methylphenyl]amino}-5-methylpyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG5 | 0.71 | |
GEQ | 5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN- 1-YL]CARBONYL}-1H-INDOLE | A,B,C,D,E,F | 1P44 | 0.7 | |
G2G | 5-TERT-BUTYL-2-(4-METHYLPHENYL)- 3-{[({4-[6-(MORPHOLIN-4-YLMETHYL)PYRIDIN- 3-YL]-1-NAPHTHYL}AMINO)CARBONYL]AMINO}- 1H-PYRAZOL-2-IUM | A | 2PUU | 0.74 | |
406 | N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)- 4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN- 1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | A,B | 2E2B | 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 | 0.72 | |
TZ4 | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2- [(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]- 1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM | A,B | 1Q84 | 0.71 | |
LA1 | (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4- (QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN- 1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE | A,B | 1XUO | 0.73 | |
P63 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | A | 2PVN | 0.71 | |
3FR | 3'-chloro-5'-(3-methyl-6-{[(1S)- 1-phenylethyl]amino}-1H-pyrazolo[4,3- c]pyridin-1-yl)biphenyl-2-carboxamide | A | 3DBD | 0.74 | |
PY1 | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.72 | |
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 | |
PD5 | 1-{4-[4-amino-1-(1-methylethyl)- 1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}- 3-[3-(trifluoromethyl)phenyl]urea | A | 3EL8 | 0.7 | |
IDN | (E)-N-METHYL-N-(1-METHYL-1H-INDOL- 3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO- [1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE | A,B | 1MFP | 0.72 | |
306 | 3-[5-(PIPERIDIN-1-YLMETHYL)-1H- INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN- 2(1H)-ONE | A | 2HY0 | 0.76 | |
NPZ | 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4- d]pyrimidin-4-amine | A | 3ENE | 0.71 | |
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 | 0.8 | |
UI1 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-4-(PYRIMIDIN- 2-YLAMINO)-2-NAPHTHAMIDE | A | 1SQA | 0.74 | |
P39 | 5-methyl-4-[(2-methyl-5-{[(3-morpholin- 4-ylphenyl)carbonyl]amino}phenyl)amino]- N-[(1S)-1-phenylethyl]pyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 3BV3 | 0.71 | |
SN6 | 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM | A,B | 144D | 0.71 | |
PYN | 3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN- 1-YL-PROPIONYLAMINO)-ACRIDIN-3- YL]-PROPIONAMIDE | A,B | 1L1H | 0.72 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.7 | |
2FR | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.75 | |
373 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN- 1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN- 2(1H)-ONE | A | 2HXQ | 0.7 | |
SM5 | (1E)-5-(1-piperidin-4-yl-3-pyridin- 4-yl-1H-pyrazol-4-yl)-2,3-dihydro- 1H-inden-1-one oxime | A,B | 3D4Q | 0.74 | |
A17 | N-cyclopropyl-4-methyl-3-[1-(2- methylphenyl)phthalazin-6-yl]benzamide | A,B,C,D | 3DS6 | 0.75 | |
LZ8 | (4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]- 4H-pyrazole-3-carboxamide | A | 2VTO | 0.7 | |
MPY | (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4- (4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4- C]PYRAZOLE-5(3H)-CARBOXAMIDE | A,B,C,D,E,F | 2BMC | 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 | 0.71 | |
292 | N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)- 2-(2-NAPHTHYL)ACETAMIDE | A,C,D | 1VYW | 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 | 0.72 | |
SN7 | 4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]- N-METHYLPYRIDINIUM MESYLATE | A | 328D | 0.7 | |
N4D | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4- d]pyrimidin-4-yl)amino]benzamide | A | 3CG2 | 0.72 | |
242 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL- N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2OFV | 0.73 | |
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 | |