Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01948563
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 |
D92 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE- 2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL- 4,5,6,7-TETRAHYDROTHIAZOLO[5,4- C]PYRIDINE-2-CARBOXAMIDE | A | 2EI6 | 0.7 | |
2E1 | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)- N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE- 3-CARBOXAMIDE | A | 2CCT | 0.71 | |
740 | N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN- 2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN- 1-YLPHENYL)ACETAMIDE | A | 2R64 | 0.71 | |
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 | 0.7 | |
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 | 0.7 | |
D15 | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}- 1H-indazol-3-yl)benzamide | A,B,C,D | 2VX3 | 0.79 | |
3FR | 3'-chloro-5'-(3-methyl-6-{[(1S)- 1-phenylethyl]amino}-1H-pyrazolo[4,3- c]pyridin-1-yl)biphenyl-2-carboxamide | A | 3DBD | 0.72 | |
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 | |
14C | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C06 | 0.72 | |
14C | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C0A | 0.72 | |
LZE | 4-{[(2,6-dichlorophenyl)carbonyl]amino}- N-piperidin-4-yl-1H-pyrazole-3- carboxamide | A | 2VU3 | 0.84 | |
SBC | 1-[4-(AMINOSULFONYL)PHENYL]-1,6- DIHYDROPYRAZOLO[3,4-E]INDAZOLE- 3-CARBOXAMIDE | A,C,D | 2BKZ | 0.71 | |
537 | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL- 6-ONE | A | 1UKI | 0.72 | |
537 | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL- 6-ONE | A | 1PMV | 0.72 | |
537 | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL- 6-ONE | A | 2ZMD | 0.72 | |
ME4 | 3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN- 1(2H)-YL)BENZAMIDO)CYCLOHEXYL)- 1H-INDOLE-6-CARBOXAMIDE | A | 2P94 | 0.71 | |
IIE | 1-{2-[(4-CHLOROPHENYL)AMINO]-2- OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN- 4-YL)-1H-INDOLE-2-CARBOXAMIDE | B | 2BQW | 0.77 | |
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 | |
AIZ | 3-{6-[(2-CHLOROPHENYL)AMINO]-1H- INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID | A | 2B1P | 0.75 | |
D31 | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)- N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2- C]PYRAZOL-5-YL)ACETAMIDE | A | 2B55 | 0.8 | |
DT8 | N-((1R,2S,5S)-2-(5-CHLORO-1H-INDOLE- 2-CARBOXAMIDO)-5-(DIMETHYLCARBAMOYL)CYCLOHEXYL)- 5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4- C]PYRIDINE-2-CARBOXAMIDE | A | 2EI8 | 0.7 | |
222 | 2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1- (2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN- 3-YL]AMINO}PROPYL)-1H-ISOINDOLE- 1,3(2H)-DIONE | A | 2I0H | 0.73 | |
LZ3 | N-(4-sulfamoylphenyl)-1H-indazole- 3-carboxamide | A | 2VTI | 0.78 | |
5Z5 | 5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]- 2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE | A | 2JAV | 0.73 | |
FRB | 2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO- PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN- 1-YL}-2-OXO-ETHYL)-2-GUANIDINO- ACETAMIDE | A,B | 1PW6 | 0.79 | |
N5B | N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE | A | 1VYZ | 0.71 | |
MB9 | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9- tetrahydrospiro[beta-carboline- 3,4'-piperidine]-4-carbonitrile | A | 3CY2 | 0.74 | |
LZ5 | N-phenyl-1H-pyrazole-3-carboxamide | A | 2VTL | 0.74 | |
D93 | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE- 2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL- 4,5,6,7-TETRAHYDROTHIAZOLO[5,4- C]PYRIDINE-2-CARBOXAMIDE | A | 2EI7 | 0.7 | |
306 | 3-[5-(PIPERIDIN-1-YLMETHYL)-1H- INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN- 2(1H)-ONE | A | 2HY0 | 0.71 | |
700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L5Q | 0.7 | |
700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1EXV | 0.7 | |
700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L5S | 0.7 | |
700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L7X | 0.7 | |
700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L5R | 0.7 | |
19A | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.73 | |
LZD | 4-{[(2,6-difluorophenyl)carbonyl]amino}- N-[(3S)-piperidin-3-yl]-1H-pyrazole- 3-carboxamide | A | 2VTT | 0.79 | |
582 | 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H- PYRAZOLO[4,3-C]QUINOLIN-4-ONE | A | 2QHN | 0.8 | |
LZ9 | {[(2,6-difluorophenyl)carbonyl]amino}- N-(4-fluorophenyl)-1H-pyrazole- 3-carboxamide | A | 2VTP | 0.77 | |
J60 | 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]-N-[2- (DIETHYLAMINO)ETHYL]-2,4-DIMETHYL- 1H-PYRROLE-3-CARBOXAMIDE | A,B | 2JAM | 0.76 | |
82A | (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)- 2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJJ | 0.7 | |
288 | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL- (2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}- AMIDE | A,B | 1XOI | 0.71 | |
LZA | {[(2,6-difluorophenyl)carbonyl]amino}- N-piperidin-4-yl-1H-pyrazole-3- carboxamide | A | 2VTQ | 0.79 | |
CHI | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1- (4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN- 1YL)-2-OXOETHYL]AMIDE | A | 1H5U | 0.72 | |
CHI | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1- (4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN- 1YL)-2-OXOETHYL]AMIDE | A | 1C50 | 0.72 | |
CHI | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1- (4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN- 1YL)-2-OXOETHYL]AMIDE | A | 1LWO | 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 | 0.76 | |
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 | 0.79 | |
2AZ | N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL- 5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1- F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]- 4-METHYLBENZAMIDE | A,B,D,E | 2GM1 | 0.71 | |
L02 | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL- 5-YL]PIPERIDINE | B,I | 1WAY | 0.74 | |
274 | (3Z)-N-(3-CHLOROPHENYL)-3-({3,5- DIMETHYL-4-[(4-METHYLPIPERAZIN- 1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)- N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE | A | 2J7T | 0.74 | |
33A | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OK1 | 0.78 | |
33A | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJI | 0.78 | |
CMB | 1-(3-carbamimidoylbenzyl)-N-(3,5- dichlorobenzyl)-4-methyl-1H-indole- 2-carboxamide | B | 1LPZ | 0.71 | |
LZ8 | (4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]- 4H-pyrazole-3-carboxamide | A | 2VTO | 0.72 |