Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01765641
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 | |
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 | 0.7 | |
BFU | 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6- FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)- CYCLOPROPYL]-UREA | A | 1EET | 0.71 | |
240 | (2S)-2-(2-{[1-(4-METHOXYBENZOYL)- 2-METHYL-5-(TRIFLUOROMETHOXY)-1H- INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID | A,B | 2Q59 | 0.72 | |
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 | |
DRY | [(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}- 1H-INDOL-5-YL)OXY]ACETIC ACID | A | 2HWQ | 0.71 | |
MSD | 1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY- PHENYL)-CYCLOPROPYL]-3-(5-CYANO- PYRIDIN-2-YL)-THIOUREA | A | 1IKY | 0.71 | |
DRD | 2-[(1-{3-[(6-BENZOYL-1-PROPYL-2- NAPHTHYL)OXY]PROPYL}-1H-INDOL-4- YL)OXY]-2-METHYLPROPANOIC ACID | A | 2HWR | 0.71 | |
858 | C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN | A,D | 1QPF | 0.7 | |
447 | N-(4-{[6-methoxy-7-(3-morpholin- 4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide | A,B | 2VRX | 0.73 | |
241 | (2S)-2-(3-{[1-(4-METHOXYBENZOYL)- 2-METHYL-5-(TRIFLUOROMETHOXY)-1H- INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID | A,B | 2Q5P | 0.71 | |
310 | N-carbamimidoyl-2-[2-(2-chlorophenyl)- 5-[4-(4-ethanoylphenoxy)phenyl]pyrrol- 1-yl]ethanamide | A | 2ZDZ | 0.7 | |
UA4 | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2-(3,5-DIFLUOROPHENYL)-4- (3-METHOXYPROPYL)-2-METHYL-2H-1,4- BENZOXAZIN-3(4H)-ONE | A,B | 2I4Q | 0.74 | |
608 | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.71 | |
I01 | (4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY- BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE- 4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER | A | 1SVE | 0.71 | |
GNF | N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL- N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}- L-ALANINAMIDE | A,B | 2F1G | 0.71 | |
DRH | (2S)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4P | 0.76 | |
DRH | (2S)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4Z | 0.76 | |
DRJ | (2R)-2-(4-{2-[1,3-BENZOXAZOL-2- YL(HEPTYL)AMINO]ETHYL}PHENOXY)- 2-METHYLBUTANOIC ACID | A | 2I4J | 0.76 | |
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 | 0.7 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.7 | |
3B9 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BAC | 0.75 | |
3B9 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BA9 | 0.75 | |
MR4 | 4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL | A,B | 2QGC | 0.7 | |
DFY | (5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN- 4-YLAMINO)-ACETIC | A | 2BRG | 0.72 | |
PFP | 2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3- D]PYRIMIDIN-4-YLAMINO]-ETHANOL | A | 2BR1 | 0.7 | |
5IG | 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL- 2H-1,4-BENZOXAZIN-3(4H)-ONE | A,B | 2G1Y | 0.72 | |
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 | 0.7 | |
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 | |
4IG | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2-(3,5-DIFLUOROPHENYL)-4- (3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN- 3(4H)-ONE | A,B | 2G1S | 0.74 | |
IMS | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1S)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYU | 0.7 | |
IM8 | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1R)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYE | 0.7 | |
GIL | 2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}- 4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN- 2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BENZOIC ACID | A,H,L,U | 2C4F | 0.72 | |
03R | 2-({6-{3-[AMINO(IMINO)METHYL]PHENOXY}- 3,5-DIFLUORO-4-[(1-METHYL-3-PHENYLPROPYL)AMINO]- 2-PYRIDINYL}OXY)BENZOIC ACID | H,L | 2AEI | 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 | 0.72 | |
HPM | N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN- 1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN- 4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE | A,B | 2C6E | 0.71 | |
3B8 | 2-amino-7-fluoro-5-oxo-5H-chromeno[2,3- b]pyridine-3-carboxamide | A | 3BA8 | 0.71 | |
338 | 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3- BENZOOXAZOL-6-OL | A,B | 1U3R | 0.7 | |
CEI | N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN- 2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE | A,B | 2PSJ | 0.71 | |
CEI | N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN- 2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE | A | 2F8P | 0.71 | |
CEI | N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN- 2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE | A | 1S36 | 0.71 | |
I05 | (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN- 3-YL}-ISONICOTINAMIDE | A | 1VEB | 0.71 | |
MR9 | 4-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN- 4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN- 4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2P4I | 0.71 | |
I08 | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO- 6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]- VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE | A | 1SVH | 0.7 | |
MT4 | 5-{4-[(6,7-dimethoxyquinolin-4- yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]- 3-methylpyrimidin-4(3H)-one | A,B | 3EFK | 0.7 | |
3IG | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO- 4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE | A,B | 2G1R | 0.72 | |
587 | C32-O-(1-METHYL-INDOL-5-YL) 18- HYDROXY-ASCOMYCIN | A,C | 1QPL | 0.7 | |
AQZ | N-(3-{[7-METHOXY-6-(2-PYRROLIDIN- 1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}- 4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | A | 2BAK | 0.7 | |
VIN | 12-(2-hydroxyethyl)-2-(1-methylethoxy)- 13,14-dihydronaphtho[2,1-a]pyrrolo[3,4- c]carbazol-5(12H)-one | A | 3DTC | 0.7 | |
EHA | (5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}- 1H-INDOL-1-YL)ACETIC ACID | A | 2F4B | 0.71 | |
MT3 | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin- 4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin- 4(3H)-one | A,B | 3EFJ | 0.71 | |
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 | 0.72 |