Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00886189
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 |
GEQ | 5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN- 1-YL]CARBONYL}-1H-INDOLE | A,B,C,D,E,F | 1P44 | 0.72 | |
P5B | N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~- {4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE | H,L | 1WUN | 0.74 | |
MHC | 3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO- B-CARBOLIN-2-YL)-PROPAN-1-ONE | A | 1NBP | 0.72 | |
411 | 3-bromo-N-[4-[1-(2-carbamimidamido- 2-oxo-ethyl)-5-phenyl-pyrrol-2- yl]phenyl]benzamide | A | 2ZE1 | 0.73 | |
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 | |
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 | 0.73 | |
SRS | 4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA- 12(19),13(18),15,17-TETRAENE-10- CARBAMOYL)PENTA-METHYLSULFONEDIIMINE | A | 1MMR | 0.72 | |
CM6 | (2S)-2-[(2,1,3-BENZOTHIADIAZOL- 4-YLSULFONYL)AMINO]-2-PHENYL-N- PYRIDIN-4-YLACETAMIDE | A | 2CIB | 0.71 | |
SBR | (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF7 | 0.81 | |
SBB | N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL- BENZAMIDE | A | 1IF9 | 0.83 | |
DPS | 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL- PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- PROPIONIC ACID | A | 1CAQ | 0.7 | |
DPS | 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL- PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- PROPIONIC ACID | A | 1CIZ | 0.7 | |
CMI | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL- 1H-INDOLE-2-CARBOXYLIC ACID 3,5- DIMETHYL-BENZYLAMIDE | B | 1LQD | 0.72 | |
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 | 0.73 | |
6MR | N-[(4'-IODOBIPHENYL-4-YL)SULFONYL]- D-TRYPTOPHAN | A,B | 2OW0 | 0.72 | |
LI3 | 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN- 4-YLBENZAMIDE | A | 1WBV | 0.71 | |
DAX | 5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]- 9-AMINOACRIDINE-4-CARBOXAMIDE | A | 1M69 | 0.71 | |
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 | 0.72 | |
FXN | 5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID- (2-MERCAPTO-ETHYL)-AMIDE | A,B | 1SHL | 0.75 | |
SNX | 2-[(2-methoxyethyl)amino]-4-(4- oxo-1,2,3,4-tetrahydro-9H-carbazol- 9-yl)benzamide | A | 3D0B | 0.71 | |
IIE | 1-{2-[(4-CHLOROPHENYL)AMINO]-2- OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN- 4-YL)-1H-INDOLE-2-CARBOXAMIDE | B | 2BQW | 0.7 | |
TUO | 2-(hydrazinocarbonyl)-3-phenyl- 1H-indole-5-sulfonamide | A | 3B4F | 0.75 | |
PR2 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2- OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN- 2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | A | 1F0S | 0.7 | |
PDS | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL- 1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | A,B | 2I0E | 0.71 | |
373 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN- 1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN- 2(1H)-ONE | A | 2HXQ | 0.73 | |
D01 | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN- 1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4- OXIDE | A | 2D1J | 0.73 | |
AM8 | N-(3-chlorophenyl)-N-methyl-2-oxo- 3-[(3,4,5-trimethyl-1H-pyrrol-2- yl)methyl]-2H-indole-5-sulfonamide | A | 2RFS | 0.73 | |
DA5 | 5-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 367D | 0.71 | |
DA6 | 6-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 366D | 0.74 | |
ZAM | 3-[(ACETYL-METHYL-AMINO)-METHYL]- 4-AMINO-N-METHYL-N-(1-METHYL-1H- INDOL-2-YLMETHYL)-BENZAMIDE | A,B | 1LX6 | 0.74 | |
K2C | 6,7,12,13-tetrahydro-5H-indolo[2,3- a]pyrrolo[3,4-c]carbazol-5-one | A | 2R0P | 0.71 | |
43B | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)- 1,3-BENZOTHIAZOL-5-YL]BENZOYL}- 4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | A | 2O21 | 0.75 | |
43B | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)- 1,3-BENZOTHIAZOL-5-YL]BENZOYL}- 4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | A | 2O1Y | 0.75 | |
43B | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)- 1,3-BENZOTHIAZOL-5-YL]BENZOYL}- 4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | A | 1YSN | 0.75 | |
43B | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)- 1,3-BENZOTHIAZOL-5-YL]BENZOYL}- 4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | A | 1YSW | 0.75 | |
SBS | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF8 | 0.81 | |
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 | 0.73 | |
B18 | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)- 1,3-THIAZOL-2-YL]-4-METHYL-1-OXO- 2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE- 6-CARBOXAMIDE | A,B,C | 2PZY | 0.72 | |
MRX | 5-bromo-3-(pyrrolidin-1-ylsulfonyl)- 1H-indole-2-carboxamide | A | 2RF2 | 0.82 | |
165 | N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL- N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE | H,I | 1SB1 | 0.7 | |
567 | 2-[[(2R)-1-[[(2S)-5-amino-1-[(4- carbamimidoylphenyl)methylamino]- 1,5-dioxo-pentan-2-yl]amino]-3- (1H-indol-3-yl)-1-oxo-propan-2- yl]sulfamoyl]ethanoic acid | H,L | 2ZWL | 0.71 | |
BD4 | 6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4- C]CARBAZOLE-1,3(2H,6H)-DIONE | A | 1WVX | 0.71 | |
WAC | N-{3-[(12bS)-7-oxo-1,3,4,6,7,12b- hexahydroindolo[2,3-a]quinolizin- 12(2H)-yl]propyl}propane-2-sulfonamide | B | 1S1S | 0.72 | |
NHB | N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)- 2-THIENYL]SULFONYL}AMINO)BENZAMIDE | A,B | 1W22 | 0.71 | |
B97 | (10R)-10-methyl-3-(6-methylpyridin- 3-yl)-9,10,11,12-tetrahydro-8H- [1,4]diazepino[5',6':4,5]thieno[3,2- f]quinolin-8-one | X | 3FYJ | 0.7 | |
K88 | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7- TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)- 2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE | A,D | 2WEL | 0.79 |