Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00919810
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 |
2EQ | 5-(5-chloro-2,4-dihydroxyphenyl)- N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole- 3-carboxamide | A | 2VCJ | 0.78 | |
REW | (2S,3S)-1-(4-METHOXYPHENYL)-3-(3- (2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)- 4-OXOAZETIDINE-2-CARBOXYLIC ACID | A | 2REW | 0.71 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.73 | |
B1L | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-HYDROXYBENZOATE | A | 1REJ | 0.71 | |
IID | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.71 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.71 | |
GNI | (3-{4-[2-(2,4-DICHLORO-PHENOXY)- ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL- 3-YL}-PHENYL)-ACETIC ACID | A,B | 2J14 | 0.73 | |
340 | 5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE- 4,7-DIONE | A,B,C,D | 1KBO | 0.7 | |
234 | 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL- PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE- 3-CARBOXYLIC ACID | A | 1Q1M | 0.75 | |
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 | 0.72 | |
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 | 0.72 | |
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 | 0.71 | |
W84 | 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1 | 2RS1 | 0.74 | |
W84 | 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1 | 1RUD | 0.74 | |
W84 | 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1 | 1RUI | 0.74 | |
W84 | 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1 | 1RUH | 0.74 | |
W8R | 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1 | 2RR1 | 0.74 | |
541 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL- 3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}- 2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | A,B | 2FV5 | 0.72 | |
2GJ | 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]- N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE- 3-CARBOXAMIDE | A | 2VCI | 0.83 | |
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 | 0.73 | |
380 | (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)- N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE | H,L | 1W2K | 0.7 | |
3IH | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL- L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)- 4-OXO-1-{[(3R)-2-OXOPYRROLIDIN- 3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | A | 2HOB | 0.8 | |
3IH | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL- L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)- 4-OXO-1-{[(3R)-2-OXOPYRROLIDIN- 3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | A,B | 2AMQ | 0.8 | |
3IH | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL- L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)- 4-OXO-1-{[(3R)-2-OXOPYRROLIDIN- 3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | A,B,C,D | 3D23 | 0.8 | |
3IH | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL- L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)- 4-OXO-1-{[(3R)-2-OXOPYRROLIDIN- 3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | A,B | 2Q6F | 0.8 | |
VG4 | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(2-oxo-2,3-dihydro- 1H-pyrrol-1-yl)-5-propoxybenzamide | A | 2VIZ | 0.72 | |
W71 | 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1,4 | 1PIV | 0.75 | |
W71 | 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1,4 | 1D4M | 0.75 | |
W71 | 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1 | 2R04 | 0.75 | |
ONO | 2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)- 6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL- 2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID | A | 2AYW | 0.71 | |
330 | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4- (2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE | A | 2IO6 | 0.7 | |
570 | 2-(2-BENZOYL-PHENYLAMINO)-3-{4- [2-(5-METHYL-2-PHENYL-OXAZOL-4- YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,D | 1RDT | 0.72 | |
570 | 2-(2-BENZOYL-PHENYLAMINO)-3-{4- [2-(5-METHYL-2-PHENYL-OXAZOL-4- YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,D | 1FM9 | 0.72 | |
W56 | 5-(5-(4-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)PENTYL)- 3-METHYL ISOXAZOLE | 1 | 2RS5 | 0.74 | |
W59 | 5-(7-(5-HYDRO-4-ETHYL-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1 | 2RS3 | 0.74 | |
272 | 4-(6-HYDROXY-BENZO[D]ISOXAZOL-3- YL)BENZENE-1,3-DIOL | A,B,C,D | 1U3Q | 0.72 | |
936 | 5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE- 4,7-DIONE | A,B,C,D | 1KBQ | 0.72 | |
893 | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)- 6-ETHOXYPYRIDINE-2-CARBOXAMIDE | A,B | 2H96 | 0.72 | |
BSM | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)- N-ETHYL-4-(4-METHOXYPHENYL)-1H- PYRAZOLE-3-CARBOXAMIDE | A | 2BSM | 0.73 | |
CXZ | 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]- 1,2-benzisoxazol-3-yl}benzene-1,3- diol | A | 3BMY | 0.73 | |
AG7 | 4-{2-(4-FLUORO-BENZYL)-6-METHYL- 5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)- AMINO]-4-OXO-HEPTANOYLAMINO}-5- (2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | A | 1CQQ | 0.77 | |
L05 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.7 | |
IX1 | 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)- 4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID | A | 1XBO | 0.74 | |
W03 | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]- PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]- PHENOL | 1,4 | 1QJY | 0.71 | |
CY6 | N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL- 1-((S)-2-OXOPYRROLIDIN-3-YL)BUT- 3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL- 4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE- 3-CARBOXAMIDE | A | 2ALV | 0.71 | |
2GG | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)- N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE- 3-CARBOXAMIDE | A | 2UWD | 0.85 | |
W35 | 5-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)- 3-METHYL ISOXAZOLE | 1 | 1RUE | 0.74 | |
W35 | 5-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)- 3-METHYL ISOXAZOLE | 1 | 2R06 | 0.74 | |
W35 | 5-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)- 3-METHYL ISOXAZOLE | 1 | 1RUC | 0.74 | |
W35 | 5-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)- 3-METHYL ISOXAZOLE | 1 | 1RUG | 0.74 |