Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02619584
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 |
750![]() | 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN- 2-CARBOXYLIC ACID ((S)-3-METHYL- 1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2- YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE | A,B | 1NL6 | 0.76 | ![]() |
BI5![]() | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.73 | ![]() |
IOG![]() | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)- 1H-INDOL-3-YL]ACETAMIDE | A | 2IOG | 0.71 | ![]() |
307![]() | 6,7-DIMETHYL-3-[(METHYL{2-[METHYL({1- [3-(TRIFLUOROMETHYL)PHENYL]-1H- INDOL-3-YL}METHYL)AMINO]ETHYL}AMINO)METHYL]- 4H-CHROMEN-4-ONE | A,C | 2AZ5 | 0.75 | ![]() |
241![]() | (2S)-2-(3-{[1-(4-METHOXYBENZOYL)- 2-METHYL-5-(TRIFLUOROMETHOXY)-1H- INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID | A,B | 2Q5P | 0.76 | ![]() |
IMN![]() | INDOMETHACIN | A | 2BXM | 0.7 | ![]() |
IMN![]() | INDOMETHACIN | A | 3FO7 | 0.7 | ![]() |
IMN![]() | INDOMETHACIN | A,B,C,D | 1Z9H | 0.7 | ![]() |
IMN![]() | INDOMETHACIN | A | 2BXQ | 0.7 | ![]() |
IMN![]() | INDOMETHACIN | A,B,C,D | 4COX | 0.7 | ![]() |
IMN![]() | INDOMETHACIN | A | 2ALT | 0.7 | ![]() |
IMN![]() | INDOMETHACIN | A | 2OTH | 0.7 | ![]() |
IMN![]() | INDOMETHACIN | A,B | 2DM6 | 0.7 | ![]() |
IMN![]() | INDOMETHACIN | A | 1S2A | 0.7 | ![]() |
IMN![]() | INDOMETHACIN | A | 2ZB8 | 0.7 | ![]() |
IMN![]() | INDOMETHACIN | A | 3HWZ | 0.7 | ![]() |
IMN![]() | INDOMETHACIN | A | 2BXK | 0.7 | ![]() |
I1H![]() | 3-[2-(2,4-DICHLOROPHENYL)ETHOXY]- 4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN- 4-YL)METHYL]BENZAMIDE | B | 2BMG | 0.73 | ![]() |
DIT![]() | DITERCALINIUM | A | 1D32 | 0.7 | ![]() |
43A![]() | (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)- 3-(1H-PYRROL-2-YLMETHYLENE)-1,3- DIHYDRO-2H-INDOL-2-ONE | A | 2AYP | 0.72 | ![]() |
3LG![]() | (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)- 6-OXOPIPERAZIN-2-YL]METHOXY}-1H- INDOL-1-YL)ACETIC ACID | B | 2G26 | 0.7 | ![]() |
FLL![]() | OCTAHEDRAL RU-PYRIDOCARBAZOLE | A | 3FXZ | 0.73 | ![]() |
ZY1![]() | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(3-methoxybenzyl)amino]propyl}- 7-ethyl-1-methyl-3,4-dihydro-1H- [1,2,5]thiadiazepino[3,4,5-hi]indole- 9-carboxamide 2,2-dioxide | A | 2WF1 | 0.7 | ![]() |
839![]() | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL- 2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL- 6(1H)-YL)PROPANOIC ACID | A | 2IN6 | 0.71 | ![]() |
DRD![]() | 2-[(1-{3-[(6-BENZOYL-1-PROPYL-2- NAPHTHYL)OXY]PROPYL}-1H-INDOL-4- YL)OXY]-2-METHYLPROPANOIC ACID | A | 2HWR | 0.79 | ![]() |
615![]() | (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin- 4-yl)methoxy]benzyl}cyclopropane- 1,2-dicarboxamide | A,B | 3E8R | 0.71 | ![]() |
DRY![]() | [(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}- 1H-INDOL-5-YL)OXY]ACETIC ACID | A | 2HWQ | 0.8 | ![]() |
EHA![]() | (5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}- 1H-INDOL-1-YL)ACETIC ACID | A | 2F4B | 0.77 | ![]() |
FLX![]() | N-[(FURAN-2-YL)CARBONYL]-(S)-LEUCYL- (R)-[1-AMINO-2(1H-INDOL-3-YL)ETHYL]- PHOSPHONIC ACID | A | 4AIG | 0.71 | ![]() |
858![]() | C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN | A,D | 1QPF | 0.73 | ![]() |
AM7![]() | 2-benzyl-5-(3-fluoro-4-{[6-methoxy- 7-(3-morpholin-4-ylpropoxy)quinolin- 4-yl]oxy}phenyl)-3-methylpyrimidin- 4(3H)-one | A,B | 2RFN | 0.73 | ![]() |
826![]() | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.73 | ![]() |
900![]() | N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin- 4-yl)oxy]naphthalene-1-carboxamide | A,B | 3B8Q | 0.78 | ![]() |
IMA![]() | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | B | 1LPG | 0.73 | ![]() |
IMA![]() | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | A | 1LQE | 0.73 | ![]() |
ZYE![]() | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHOXYBENZYL)AMINO]PROPYL}- 1-ETHYL-4-(2-OXO-2,3-DIHYDRO-1H- PYRROL-1-YL)-1H-INDOLE-6-CARBOXAMIDE | A | 2WEZ | 0.74 | ![]() |
VIN![]() | 12-(2-hydroxyethyl)-2-(1-methylethoxy)- 13,14-dihydronaphtho[2,1-a]pyrrolo[3,4- c]carbazol-5(12H)-one | A | 3DTC | 0.76 | ![]() |
232![]() | 1,3-DI[[[10-METHOXY-7H-PYRIDO[4,3- C]CARBAZOL-2-IUMYL]-ETHYL]-PIPERIDIN- 4-YL]-PROPANE | A | 1C9Z | 0.7 | ![]() |
6IN![]() | 4-(1-BENZYL-3-CARBAMOYLMETHYL-2- METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID | A | 1DB5 | 0.74 | ![]() |
359![]() | 3-[[3-[(2R)-3-[[(2S)-5-amino-1- [(4-carbamimidoylphenyl)methylamino]- 1,5-dioxo-pentan-2-yl]amino]-2- (ethylsulfonylamino)-3-oxo-propyl]- 1H-indol-5-yl]oxymethyl]benzoic acid | H,L | 2ZZU | 0.7 | ![]() |
447![]() | N-(4-{[6-methoxy-7-(3-morpholin- 4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide | A,B | 2VRX | 0.72 | ![]() |
IMM![]() | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGF | 0.72 | ![]() |
IMM![]() | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGG | 0.72 | ![]() |
PIL![]() | 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN- 4-YL)-4-METHOXYBENZAMIDE | A,B | 1XM4 | 0.71 | ![]() |
PIL![]() | 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN- 4-YL)-4-METHOXYBENZAMIDE | A,B | 1XON | 0.71 | ![]() |
RO0![]() | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY- 4-{[4-(2-METHOXYPHENYL)PIPERIDIN- 1-YL]METHYL}ISOQUINOLINE | A | 2FVJ | 0.73 | ![]() |
JTP![]() | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2- D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]- 2-METHYL-L-ALANINE | A,B | 2DXS | 0.73 | ![]() |
896![]() | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.7 | ![]() |
BER![]() | BERBERINE | A | 3D6Y | 0.72 | ![]() |
BER![]() | BERBERINE | A,B,D,E | 1JUM | 0.72 | ![]() |
BER![]() | BERBERINE | A,B,D,E | 3BTI | 0.72 | ![]() |
BER![]() | BERBERINE | A | 2QVD | 0.72 | ![]() |
547![]() | 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3- B]PYRIDIN-4-AMINE | A | 2OF2 | 0.74 | ![]() |
YPA![]() | (S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)- PHENYL)-2-ETHOXY-PROPIONIC ACID | A | 1KNU | 0.73 | ![]() |
642![]() | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin- 4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane- 1-carboxylic acid | A,B | 3EWJ | 0.73 | ![]() |
3CS![]() | 3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4- IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)- 1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID | A,B,C,D,E,F | 2Q7R | 0.74 | ![]() |
A53![]() | 5-{5-[(S)-2-AMINO-3-(1H-INDOL-3- YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1- (1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]- 1,3-DIHYDRO-INDOL-2-ONE | A | 2GHG | 0.74 | ![]() |
8IN![]() | [3-(1-BENZYL-3-CARBAMOYLMETHYL- 2-METHYL-1H-INDOL-5-YLOXY)-PROPYL- ]-PHOSPHONIC ACID | A | 1DB4 | 0.72 | ![]() |
587![]() | C32-O-(1-METHYL-INDOL-5-YL) 18- HYDROXY-ASCOMYCIN | A,C | 1QPL | 0.73 | ![]() |
240![]() | (2S)-2-(2-{[1-(4-METHOXYBENZOYL)- 2-METHYL-5-(TRIFLUOROMETHOXY)-1H- INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID | A,B | 2Q59 | 0.76 | ![]() |
IID![]() | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.73 | ![]() |
FLD![]() | BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE- 1,6-DIAMINE | A,B | 154D | 0.71 | ![]() |
JK2![]() | 3-{5-[(2-fluorophenyl)amino]-1H- indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide | A | 3FI3 | 0.7 | ![]() |
887![]() | N-cyclopropyl-6-[(6,7-dimethoxyquinolin- 4-yl)oxy]naphthalene-1-carboxamide | A,B | 3B8R | 0.78 | ![]() |
AQZ![]() | N-(3-{[7-METHOXY-6-(2-PYRROLIDIN- 1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}- 4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | A | 2BAK | 0.72 | ![]() |
CIA![]() | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL- 2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4- B]INDOLE-1,4-DIONE | A,B | 1UDU | 0.73 | ![]() |
CIA![]() | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL- 2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4- B]INDOLE-1,4-DIONE | A | 1XOZ | 0.73 | ![]() |
MT4![]() | 5-{4-[(6,7-dimethoxyquinolin-4- yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]- 3-methylpyrimidin-4(3H)-one | A,B | 3EFK | 0.72 | ![]() |
541![]() | (2R)-N-HYDROXY-2-[(3S)-3-METHYL- 3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}- 2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | A,B | 2FV5 | 0.71 | ![]() |
330![]() | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4- (2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE | A | 2IO6 | 0.75 | ![]() |
MT3![]() | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin- 4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin- 4(3H)-one | A,B | 3EFJ | 0.76 | ![]() |
61E![]() | 4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]- 9-hydroxy-6-methylpyrrolo[3,4-c]carbazole- 1,3(2H,6H)-dione | A | 3BIZ | 0.74 | ![]() |
I3N![]() | 1-BENZYL-5-METHOXY-2-METHYL-1H- INDOL-3-YL)-ACETIC ACID | A | 1DCY | 0.71 | ![]() |