Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01328760
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 |
MZ8 | N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL- 6-YLSULFONYL)(ISOBUTYL)AMINO]-1- BENZYL-2-HYDROXYPROPYL}-3-HYDROXYBENZAMIDE | A,B | 2QI6 | 0.75 | |
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 | |
8IN | [3-(1-BENZYL-3-CARBAMOYLMETHYL- 2-METHYL-1H-INDOL-5-YLOXY)-PROPYL- ]-PHOSPHONIC ACID | A | 1DB4 | 0.71 | |
982 | 3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE- 2-CARBOXYLIC ACID | A | 2AZR | 0.7 | |
570 | 2-(2-BENZOYL-PHENYLAMINO)-3-{4- [2-(5-METHYL-2-PHENYL-OXAZOL-4- YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,D | 1RDT | 0.71 | |
570 | 2-(2-BENZOYL-PHENYLAMINO)-3-{4- [2-(5-METHYL-2-PHENYL-OXAZOL-4- YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,D | 1FM9 | 0.71 | |
669 | 1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)- 1H-INDOLE-2-CARBOXYLIC ACID | A | 1MZS | 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 | 0.74 | |
SF2 | 5-CHLORO-1-(3-METHOXYBENZYL)-3- (PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID | A,B | 2Q6R | 0.72 | |
ID5 | [5-FLUORO-2-({[(4,5,7-TRIFLUORO- 1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID | A | 1T40 | 0.82 | |
ID5 | [5-FLUORO-2-({[(4,5,7-TRIFLUORO- 1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID | A | 1T41 | 0.82 | |
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 | |
LS3 | 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2- BENZOTHIEN-5-YL)AMINO]METHYLENE}- 5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO- 2H-INDOL-2-ONE | A | 1KE7 | 0.71 | |
AR2 | ARGINYL-BENZOTHIAZOLE-6-CARBOXYLIC ACID | A,B,I | 1DOJ | 0.73 | |
P41 | 6-[4-(2-fluorophenyl)-1,3-oxazol- 5-yl]-N-(1-methylethyl)-1,3-benzothiazol- 2-amine | A | 3C5U | 0.76 | |
JTP | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2- D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]- 2-METHYL-L-ALANINE | A,B | 2DXS | 0.74 | |
6IN | 4-(1-BENZYL-3-CARBAMOYLMETHYL-2- METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID | A | 1DB5 | 0.73 | |
AXA | (5S)-5-(2-amino-2-oxoethyl)-4-oxo- N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin- 6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3- d]pyrimidine-2-carboxamide | A,B | 3DNG | 0.72 | |
V5X | (2R)-N~8~-HYDROXY-2-{[(5-METHOXY- 2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}- N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE | A,B | 2V5X | 0.7 | |
YBH | 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)- BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- BUTYRIC ACID | A | 1RWX | 0.75 | |
2CA | BENZOFURAN-2-CARBOXYLIC ACID {(S)- 3-METHYL-1-[3-OXO-1-(PYRIDIN-2- YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE | A,B | 1NLJ | 0.73 | |
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 | 0.71 | |
NSH | Nosiheptide | 4,M,X,Y,Z | 2ZJP | 0.74 | |
IMA | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | B | 1LPG | 0.71 | |
IMA | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | A | 1LQE | 0.71 | |
2TH | 2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3- DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3- B]PYRROLE-5-CARBOXAMIDE | A | 2GJ4 | 0.7 | |
BT1 | {2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)- PHENYL]-BENZO[B]THIOPHEN-3-YL}- [4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]- METHANONE | B,H | 1D3T | 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 | 0.7 | |
FLX | N-[(FURAN-2-YL)CARBONYL]-(S)-LEUCYL- (R)-[1-AMINO-2(1H-INDOL-3-YL)ETHYL]- PHOSPHONIC ACID | A | 4AIG | 0.73 | |
241 | (2S)-2-(3-{[1-(4-METHOXYBENZOYL)- 2-METHYL-5-(TRIFLUOROMETHOXY)-1H- INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID | A,B | 2Q5P | 0.7 | |
IM8 | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1R)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYE | 0.72 | |
HQC | 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)- AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- 4-OXO-BUTYRI ACID | A | 1RWP | 0.71 | |
IMS | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1S)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYU | 0.72 | |
IID | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.72 | |
IMM | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGF | 0.71 | |
IMM | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGG | 0.71 | |
MZ6 | N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL- 6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}- 1-BENZYL-2-HYDROXYPROPYL]-3-HYDROXYBENZAMIDE | A,B | 2QI4 | 0.74 | |
ILI | N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY- 7-METHYL-1-(PYRIDIN-2-YLSULFONYL)- 2,3,4,7-TETRAHYDRO-1H-AZEPIN-4- YL]AMINO}CARBONYL)-3-METHYLBUTYL]- 1-BENZOFURAN-2-CARBOXAMIDE | A,B | 2FTD | 0.72 | |
792 | N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}- 5-methyl-D-tryptophan | A,B,C,D | 3G42 | 0.71 | |
033 | N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]- 1,1'-BIPHENYL-4-YL}SULFONYL)-L- VALINE | A,B,C,D | 1ZTQ | 0.7 | |
735 | 2-METHYL-2-(4-{[({4-METHYL-2-[4- (TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL- 5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID | A | 2P54 | 0.76 | |
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 | |
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 | 0.73 |