Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00537068
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 |
826 | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.7 | |
240 | (2S)-2-(2-{[1-(4-METHOXYBENZOYL)- 2-METHYL-5-(TRIFLUOROMETHOXY)-1H- INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID | A,B | 2Q59 | 0.72 | |
61E | 4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]- 9-hydroxy-6-methylpyrrolo[3,4-c]carbazole- 1,3(2H,6H)-dione | A | 3BIZ | 0.71 | |
MMB | (2R,3E)-2-{4-[(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)METHOXY]BENZYL}- 3-(PROPOXYIMINO)BUTANOIC ACID | A,C | 2NPA | 0.78 | |
824 | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE | A | 1X8B | 0.7 | |
3EA | 2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL- 6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID | A,B | 2ATH | 0.73 | |
IID | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.71 | |
43A | (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)- 3-(1H-PYRROL-2-YLMETHYLENE)-1,3- DIHYDRO-2H-INDOL-2-ONE | A | 2AYP | 0.7 | |
B4C | benzyl [(1S)-5-amino-1-{[(1S)-1- ({(1S)-5-amino-1-[(S)-1,3-benzoxazol- 2-yl(hydroxy)methyl]pentyl}carbamoyl)- 3-phenylpropyl]carbamoyl}pentyl]carbamate | B | 3E16 | 0.75 | |
DRY | [(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}- 1H-INDOL-5-YL)OXY]ACETIC ACID | A | 2HWQ | 0.76 | |
DSI | 4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)- 8-METHYL-3,6,7,8-TETRAHYDRO-3,6- DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER | B | 1DSI | 0.71 | |
669 | 1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)- 1H-INDOLE-2-CARBOXYLIC ACID | A | 1MZS | 0.72 | |
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 | |
REW | (2S,3S)-1-(4-METHOXYPHENYL)-3-(3- (2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)- 4-OXOAZETIDINE-2-CARBOXYLIC ACID | A | 2REW | 0.79 | |
DUO | 4-HYDROXY-2,8-DIMETHYL-1-OXO-6- (4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)- 1,2,3,6,7,8-HEXAHYDRO-3,6-DIAZA- AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER | B | 107D | 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 | 0.74 | |
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 | |
643 | 6-(4-{[3-(3,5-dichloropyridin-4- yl)-5-(1-methylethyl)isoxazol-4- yl]methoxy}-2-methylphenyl)-1-methyl- 1H-indole-3-carboxylic acid | A | 3FXV | 0.72 | |
205 | 2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE- 6-CARBOXYLIC ACID | A,B | 2F8I | 0.74 | |
I3N | 1-BENZYL-5-METHOXY-2-METHYL-1H- INDOL-3-YL)-ACETIC ACID | A | 1DCY | 0.72 | |
HQU | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.7 | |
DSA | 4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY- 1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO- 3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER | A | 1DSM | 0.71 | |
DSA | 4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY- 1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO- 3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER | B | 1DSA | 0.71 | |
W03 | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]- PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]- PHENOL | 1,4 | 1QJY | 0.72 | |
041 | 2-(3-FLUORO-4-HYDROXYPHENYL)-7- VINYL-1,3-BENZOXAZOL-5-OL | A,B | 1X7B | 0.79 | |
NVC | N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol- 2-yl)pyrrolidin-1-yl]carbonyl}hexyl]- N-hydroxyformamide | A | 3E3U | 0.71 | |
L92 | (2S)-3-{4-[3-(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)PROPYL]PHENYL}- 2-(1H-PYRROL-1-YL)PROPANOIC ACID | A | 2Q8S | 0.75 | |
YPA | (S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)- PHENYL)-2-ETHOXY-PROPIONIC ACID | A | 1KNU | 0.71 | |
IMA | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | B | 1LPG | 0.74 | |
IMA | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | A | 1LQE | 0.74 | |
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 | |
208 | (2S)-3-(1-{[2-(2-CHLOROPHENYL)- 5-METHYL-1,3-OXAZOL-4-YL]METHYL}- 1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID | A | 2GTK | 0.72 | |
GW4 | N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]- 3-{4-[2-(5-METHYL-2-PHENYL-1,3- OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE | A,B | 2POB | 0.76 | |
471 | N-((2S)-2-({(1Z)-1-METHYL-3-OXO- 3-[4-(TRIFLUOROMETHYL) PHENYL]PROP- 1-ENYL}AMINO)-3-{4-[2-(5-METHYL- 2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE | A,B,C,D | 1KKQ | 0.72 | |
6IN | 4-(1-BENZYL-3-CARBAMOYLMETHYL-2- METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID | A | 1DB5 | 0.71 | |
544 | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)- 3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL- 4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,D | 1K74 | 0.76 | |
544 | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)- 3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL- 4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,C,E,G | 1K7L | 0.76 | |
IMS | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1S)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYU | 0.7 | |
MR4 | 4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL | A,B | 2QGC | 0.82 | |
241 | (2S)-2-(3-{[1-(4-METHOXYBENZOYL)- 2-METHYL-5-(TRIFLUOROMETHOXY)-1H- INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID | A,B | 2Q5P | 0.72 | |
IM8 | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1R)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYE | 0.7 | |
570 | 2-(2-BENZOYL-PHENYLAMINO)-3-{4- [2-(5-METHYL-2-PHENYL-OXAZOL-4- YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,D | 1RDT | 0.78 | |
570 | 2-(2-BENZOYL-PHENYLAMINO)-3-{4- [2-(5-METHYL-2-PHENYL-OXAZOL-4- YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,D | 1FM9 | 0.78 | |
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 | 0.71 | |
EHA | (5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}- 1H-INDOL-1-YL)ACETIC ACID | A | 2F4B | 0.8 | |
JTP | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2- D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]- 2-METHYL-L-ALANINE | A,B | 2DXS | 0.76 | |
DRJ | (2R)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4J | 0.74 | |
MR5 | 4-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOPHENOL | A,B | 2QGD | 0.75 | |
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 | |
DRH | (2S)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4P | 0.74 | |
DRH | (2S)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4Z | 0.74 | |
839 | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL- 2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL- 6(1H)-YL)PROPANOIC ACID | A | 2IN6 | 0.7 | |
IOG | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)- 1H-INDOL-3-YL]ACETAMIDE | A | 2IOG | 0.73 | |
ZAA | (5-{3-[2-(5-methyl-2-phenyl-1,3- oxazol-4-yl)ethoxy]benzyl}-2-phenyl- 2H-1,2,3-triazol-4-yl)acetic acid | A | 3BC5 | 0.76 | |
887 | N-cyclopropyl-6-[(6,7-dimethoxyquinolin- 4-yl)oxy]naphthalene-1-carboxamide | A,B | 3B8R | 0.7 | |
DRD | 2-[(1-{3-[(6-BENZOYL-1-PROPYL-2- NAPHTHYL)OXY]PROPYL}-1H-INDOL-4- YL)OXY]-2-METHYLPROPANOIC ACID | A | 2HWR | 0.75 | |
330 | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4- (2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE | A | 2IO6 | 0.74 | |
CMF | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID | A | 2BRK | 0.7 | |
338 | 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3- BENZOOXAZOL-6-OL | A,B | 1U3R | 0.89 | |
B3C | benzyl [(1R)-1-({(2S,4R)-2-({(1S)- 5-amino-1-[(S)-1,3-benzoxazol-2- yl(hydroxy)methyl]pentyl}carbamoyl)- 4-[(4-methylbenzyl)oxy]pyrrolidin- 1-yl}carbonyl)-3-phenylpropyl]carbamate | B | 3E0P | 0.75 | |
VIN | 12-(2-hydroxyethyl)-2-(1-methylethoxy)- 13,14-dihydronaphtho[2,1-a]pyrrolo[3,4- c]carbazol-5(12H)-one | A | 3DTC | 0.78 | |
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 | 0.72 | |
MR6 | 2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLE | A,B | 2QGE | 0.81 | |
GNF | N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL- N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}- L-ALANINAMIDE | A,B | 2F1G | 0.72 |