Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01731551
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 |
FXN![]() | 5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID- (2-MERCAPTO-ETHYL)-AMIDE | A,B | 1SHL | 0.77 | ![]() |
K2C![]() | 6,7,12,13-tetrahydro-5H-indolo[2,3- a]pyrrolo[3,4-c]carbazol-5-one | A | 2R0P | 0.72 | ![]() |
C8C![]() | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin- 4(3H)-one | A | 2VA5 | 0.73 | ![]() |
IQZ![]() | (12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3- a]quinolizin-7(6H)-one | A | 1S1J | 0.74 | ![]() |
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 | 0.72 | ![]() |
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 | 0.72 | ![]() |
CMI![]() | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL- 1H-INDOLE-2-CARBOXYLIC ACID 3,5- DIMETHYL-BENZYLAMIDE | B | 1LQD | 0.73 | ![]() |
9HX![]() | 9-DEAZAHYPOXANTHINE | A,B,C | 1I80 | 0.76 | ![]() |
411![]() | 3-bromo-N-[4-[1-(2-carbamimidamido- 2-oxo-ethyl)-5-phenyl-pyrrol-2- yl]phenyl]benzamide | A | 2ZE1 | 0.74 | ![]() |
373![]() | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN- 1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN- 2(1H)-ONE | A | 2HXQ | 0.71 | ![]() |
S79![]() | 6-amino-2-[(1-naphthylmethyl)amino]- 3,7-dihydro-8H-imidazo[4,5-g]quinazolin- 8-one | A | 2QZR | 0.72 | ![]() |
TTR![]() | 9-ACETYL-2,3,4,9-TETRAHYDRO-1H- CARBAZOL-1-ONE | A | 2D82 | 0.71 | ![]() |
S60![]() | 6-amino-2-methyl-1,7-dihydro-8H- imidazo[4,5-g]quinazolin-8-one | A | 3C2Y | 0.72 | ![]() |
DA6![]() | 6-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 366D | 0.76 | ![]() |
BC3![]() | 2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one | A,B,C | 3DJF | 0.8 | ![]() |
553![]() | (7S)-2-(2-aminopyrimidin-4-yl)- 7-(2-fluoroethyl)-1,5,6,7-tetrahydro- 4H-pyrrolo[3,2-c]pyridin-4-one | A,B | 3DU8 | 0.72 | ![]() |
DAX![]() | 5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]- 9-AMINOACRIDINE-4-CARBOXAMIDE | A | 1M69 | 0.76 | ![]() |
BGU![]() | 2,6-diamino-1,7-dihydro-8H-imidazo[4,5- g]quinazolin-8-one | A | 2Z7K | 0.72 | ![]() |
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 | ![]() |
BFA![]() | 9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2- DIMETHYLAMINO-ETHYL)-AMIDE | A,B | 1EG6 | 0.72 | ![]() |
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 | ![]() |
DX7![]() | 2-amino-4-oxo-6-phenyl-4,7-dihydro- 3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | A,B,C,D | 3BMJ | 0.7 | ![]() |
344![]() | 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5- G]QUINAZOLIN-8-ONE | A | 2BBF | 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 | 0.71 | ![]() |
MRX![]() | 5-bromo-3-(pyrrolidin-1-ylsulfonyl)- 1H-indole-2-carboxamide | A | 2RF2 | 0.79 | ![]() |
DRK![]() | 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)- 1H,2'H-2,3'-biindol-2'-one | A | 3F3Z | 0.7 | ![]() |
DRK![]() | 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)- 1H,2'H-2,3'-biindol-2'-one | A,C | 3EB0 | 0.7 | ![]() |
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 | ![]() |
DA5![]() | 5-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 367D | 0.76 | ![]() |
GEQ![]() | 5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN- 1-YL]CARBONYL}-1H-INDOLE | A,B,C,D,E,F | 1P44 | 0.71 | ![]() |
78P![]() | (2R)-2-(7-carbamoyl-1H-benzimidazol- 2-yl)-2-methylpyrrolidinium | A | 2RD6 | 0.71 | ![]() |
P4O![]() | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)- 1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | A | 2JBO | 0.71 | ![]() |
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 | 0.71 | ![]() |
288![]() | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL- (2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}- AMIDE | A,B | 1XOI | 0.71 | ![]() |
NE8![]() | 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO- 8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | A | 1Y5V | 0.73 | ![]() |
9DG![]() | 9-DEAZAGUANINE | A,B,C,D,E | 1Q2S | 0.74 | ![]() |
9DG![]() | 9-DEAZAGUANINE | A | 1IL4 | 0.74 | ![]() |
9DG![]() | 9-DEAZAGUANINE | A,C | 1FSG | 0.74 | ![]() |
9DG![]() | 9-DEAZAGUANINE | A,B,C,D | 1Q2R | 0.74 | ![]() |
NEZ![]() | 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]- 1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN- 8-ONE | A | 1Y5W | 0.72 | ![]() |
SPP![]() | (1-(5-METHANSULPHONAMIDO-1H-INDOL- 2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE | A | 1KLM | 0.72 | ![]() |
AAI![]() | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.71 | ![]() |
I3A![]() | 1H-INDOLE-3-CARBALDEHYDE | A,B,C,D | 3BWL | 0.73 | ![]() |
I3A![]() | 1H-INDOLE-3-CARBALDEHYDE | A,B | 2OU3 | 0.73 | ![]() |
SNX![]() | 2-[(2-methoxyethyl)amino]-4-(4- oxo-1,2,3,4-tetrahydro-9H-carbazol- 9-yl)benzamide | A | 3D0B | 0.7 | ![]() |
IIE![]() | 1-{2-[(4-CHLOROPHENYL)AMINO]-2- OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN- 4-YL)-1H-INDOLE-2-CARBOXAMIDE | B | 2BQW | 0.71 | ![]() |
LTN![]() | L-TRYPTOPHANAMIDE | A | 1MAU | 0.73 | ![]() |
LTN![]() | L-TRYPTOPHANAMIDE | A,B | 2QUI | 0.73 | ![]() |
ZAM![]() | 3-[(ACETYL-METHYL-AMINO)-METHYL]- 4-AMINO-N-METHYL-N-(1-METHYL-1H- INDOL-2-YLMETHYL)-BENZAMIDE | A,B | 1LX6 | 0.72 | ![]() |
9AD![]() | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 465D | 0.71 | ![]() |
9AD![]() | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 452D | 0.71 | ![]() |