Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02609360
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 |
GVO | (2S)-2-(4-CHLOROPHENYL)-2-[4-(1H- PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW6 | 0.73 | |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.75 | |
8ST | N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide | A | 3HNG | 0.76 | |
928 | 5-amino-1-(4-chlorophenyl)-1H-pyrazole- 4-carbonitrile | A | 3EJ2 | 0.73 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.72 | |
SC8 | 5-(2,3-dichlorophenyl)-N-(pyridin- 4-ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3F | 0.7 | |
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 | |
P63 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | A | 2PVN | 0.71 | |
14C | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C06 | 0.73 | |
14C | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C0A | 0.73 | |
19A | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.71 | |
LIG | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.7 | |
33A | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OK1 | 0.76 | |
33A | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJI | 0.76 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.71 | |
P45 | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5- A][1,3,5]TRIAZINE-8-CARBONITRILE | A | 2PVK | 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 | 0.73 | |
LZE | 4-{[(2,6-dichlorophenyl)carbonyl]amino}- N-piperidin-4-yl-1H-pyrazole-3- carboxamide | A | 2VU3 | 0.72 | |
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 | 0.72 | |
GVN | (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H- PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW5 | 0.73 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.72 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.75 | |
CLQ | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.74 | |
PYN | 3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN- 1-YL-PROPIONYLAMINO)-ACRIDIN-3- YL]-PROPIONAMIDE | A,B | 1L1H | 0.7 | |
DZO | 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5- a]pyrimidin-5-amine | A | 3E7V | 0.77 | |
L02 | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL- 5-YL]PIPERIDINE | B,I | 1WAY | 0.72 | |
GVP | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL- 4-YL)PHENYL]PIPERIDINE | A | 2UW9 | 0.76 | |
GVP | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL- 4-YL)PHENYL]PIPERIDINE | A | 2UW7 | 0.76 | |
468 | (3S)-N-(3-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7P | 0.71 | |
PPX | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.72 | |
866 | 5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)- 3,3,3-trifluoro-2-hydroxypropyl]- 1-(4-fluorophenyl)-1H-pyrazole- 4-carboxamide | A,B | 3E7C | 0.72 | |
2FR | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.72 | |
BMU | 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL- 3-YL)-3-(4-CHLORO-PHENYL)-UREA | A | 1KV1 | 0.72 | |
EPJ | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.73 | |
DZP | 7-CHLORO-1-METHYL-5-PHENYL-1,3- DIHYDRO-2H-1,4-BENZODIAZEPIN-2- ONE | A,B | 2BXF | 0.72 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNF | 0.72 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2H9V | 0.72 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A,B | 2ETR | 0.72 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNJ | 0.72 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 1Q8T | 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 | 0.71 | |
744 | (3S)-N-(5-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7N | 0.71 | |
PY1 | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.71 |