Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02095506
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 |
IIE | 1-{2-[(4-CHLOROPHENYL)AMINO]-2- OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN- 4-YL)-1H-INDOLE-2-CARBOXAMIDE | B | 2BQW | 0.74 | |
P4O | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)- 1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | A | 2JBO | 0.72 | |
P4O | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)- 1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | A,B,C,D,E,F, G,H,I,K,L | 2JBP | 0.72 | |
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 | 0.75 | |
770 | N-[4-(2-CHLOROPHENYL)-1,3-DIOXO- 1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL- 9-YL]FORMAMIDE | A | 2Z2W | 0.71 | |
33A | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OK1 | 0.82 | |
33A | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJI | 0.82 | |
8ST | N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide | A | 3HNG | 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 | 0.76 | |
TUO | 2-(hydrazinocarbonyl)-3-phenyl- 1H-indole-5-sulfonamide | A | 3B4F | 0.7 | |
AAP | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA- (2-ACETYL-5-METHYLANILINO)ACETAMIDE | A | 1VRU | 0.71 | |
AAP | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA- (2-ACETYL-5-METHYLANILINO)ACETAMIDE | A | 1HPZ | 0.71 | |
CMB | 1-(3-carbamimidoylbenzyl)-N-(3,5- dichlorobenzyl)-4-methyl-1H-indole- 2-carboxamide | B | 1LPZ | 0.73 | |
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 | 0.74 | |
MDL | [DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]- [4,4,5,5,5-PENTAFLUORO-3-OXY-1- [3-INDOLYL]-PENT-2-YL]AMINE | H,I | 1AD8 | 0.71 | |
LZE | 4-{[(2,6-dichlorophenyl)carbonyl]amino}- N-piperidin-4-yl-1H-pyrazole-3- carboxamide | A | 2VU3 | 0.78 | |
CNQ | 3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE | A,B,C,D | 1WOK | 0.75 | |
6CW | 6-CHLORO-L-TRYPTOPHAN | B | 2GV2 | 0.71 | |
6CW | 6-CHLORO-L-TRYPTOPHAN | A,B | 2AXI | 0.71 | |
6CW | 6-CHLORO-L-TRYPTOPHAN | A,L,M | 3FEA | 0.71 | |
5BN | 5-[(2-AMINOETHYL)AMINO]-6-FLUORO- 3-(1H-PYRROL-2-YL)BENZO[CD]INDOL- 2(1H)-ONE | A | 1P2A | 0.72 | |
19A | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.76 | |
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 | 0.74 | |
F10 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4- YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | X | 2P3G | 0.75 | |
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 | 0.75 | |
288 | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL- (2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}- AMIDE | A,B | 1XOI | 0.73 | |
100 | 1-(5-CHLOROINDOL-3-YL)-3-HYDROXY- 3-(2H-TETRAZOL-5-YL)-PROPENONE | A,B,C | 1QS4 | 0.76 | |
GM6 | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B | 2DW0 | 0.71 | |
GM6 | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B | 2ERP | 0.71 | |
GM6 | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B | 2DW1 | 0.71 | |
GM6 | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B,D,E | 2E3X | 0.71 | |
GM6 | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B | 1PWU | 0.71 | |
ME4 | 3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN- 1(2H)-YL)BENZAMIDO)CYCLOHEXYL)- 1H-INDOLE-6-CARBOXAMIDE | A | 2P94 | 0.77 | |
IAG | N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID | A,B | 1K8Z | 0.71 | |
IAG | N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID | A,B | 1K7E | 0.71 | |
MB9 | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9- tetrahydrospiro[beta-carboline- 3,4'-piperidine]-4-carbonitrile | A | 3CY2 | 0.71 | |
14C | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C06 | 0.71 | |
14C | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C0A | 0.71 | |
TSR | 2-(1H-INDOL-3-YL)ACETAMIDE | D,H | 2OJY | 0.73 | |
TSR | 2-(1H-INDOL-3-YL)ACETAMIDE | A,D,H | 2OIZ | 0.73 | |
LZ9 | {[(2,6-difluorophenyl)carbonyl]amino}- N-(4-fluorophenyl)-1H-pyrazole- 3-carboxamide | A | 2VTP | 0.72 | |
GEQ | 5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN- 1-YL]CARBONYL}-1H-INDOLE | A,B,C,D,E,F | 1P44 | 0.71 | |
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 | 0.71 | |
BC3 | 2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one | A,B,C | 3DJF | 0.72 | |
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 | |
LZ8 | (4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]- 4H-pyrazole-3-carboxamide | A | 2VTO | 0.7 | |
AGE | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.75 | |
CP4 | BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL- AMINOETHYL]-ETHYLENE GLYCOL | A,B | 1EM6 | 0.72 | |
700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L5Q | 0.73 | |
700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1EXV | 0.73 | |
700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L5S | 0.73 | |
700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L7X | 0.73 | |
700 | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L5R | 0.73 | |
IQZ | (12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3- a]quinolizin-7(6H)-one | A | 1S1J | 0.71 | |
I3A | 1H-INDOLE-3-CARBALDEHYDE | A,B,C,D | 3BWL | 0.73 | |
I3A | 1H-INDOLE-3-CARBALDEHYDE | A,B | 2OU3 | 0.73 | |
LTN | L-TRYPTOPHANAMIDE | A | 1MAU | 0.73 | |
LTN | L-TRYPTOPHANAMIDE | A,B | 2QUI | 0.73 |