Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00937123
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 |
896 | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.74 | |
IMA | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | B | 1LPG | 0.7 | |
IMA | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | A | 1LQE | 0.7 | |
DRY | [(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}- 1H-INDOL-5-YL)OXY]ACETIC ACID | A | 2HWQ | 0.71 | |
253 | 10,11-dimethoxy-4-methyldibenzo[c,f]- 2,7-naphthyridine-3,6-diamine | A | 2R7B | 0.7 | |
ROF | 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN- 4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE | A,B | 1XOQ | 0.74 | |
ROF | 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN- 4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE | A,B | 1XMU | 0.74 | |
IID | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.71 | |
SF2 | 5-CHLORO-1-(3-METHOXYBENZYL)-3- (PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID | A,B | 2Q6R | 0.7 | |
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 | 0.7 | |
ET0 | 3-(5-methoxy-1H-indol-3-yl)propanoic acid | A,B | 3ET0 | 0.72 | |
MT3 | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin- 4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin- 4(3H)-one | A,B | 3EFJ | 0.73 | |
7PC | 2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]- 5-PYRIDIN-2-YLPHENOL | A,B | 2OP0 | 0.74 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.74 | |
C03 | (2R)-2-(4-CHLORO-3-{[3-(6-METHOXY- 1,2-BENZISOXAZOL-3-YL)-2-METHYL- 6-(TRIFLUOROMETHOXY)-1H-INDOL-1- YL]METHYL}PHENOXY)PROPANOIC ACID | A,B | 2P4Y | 0.7 | |
VX1 | 4-[3-(4-chlorophenyl)-2,1-benzisoxazol- 5-yl]pyrimidin-2-amine | A | 3BGP | 0.72 | |
CY7 | S-{(1S)-3-{[(4Z)-4-{[3-CHLORO-4- (PYRIDIN-2-YLMETHOXY)PHENYL]IMINO}- 3-CYANO-7-ETHOXY-1,4-DIHYDROQUINOLIN- 6-YL]AMINO}-1-[(DIMETHYLAMINO)METHYL]- 3-OXOPROPYL}-L-CYSTEINE | A,B | 2JIV | 0.71 | |
PQA | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | A | 2BAL | 0.71 | |
2CS | 3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)- 5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL- 2-YL]-2,2-DIMETHYLPROPANOIC ACID | A,C,D,E | 2Q7M | 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 | 0.71 | |
447 | N-(4-{[6-methoxy-7-(3-morpholin- 4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide | A,B | 2VRX | 0.7 | |
8PC | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN- 2-YLMETHYL)PHENOL | A,B | 2OP1 | 0.71 | |
8PC | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN- 2-YLMETHYL)PHENOL | A,B,C,D | 3FNE | 0.71 | |
WAY | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE | A | 1FLS | 0.71 | |
WAY | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE | A | 1FM1 | 0.71 | |
353 | N-{4-[(2-amino-3-chloropyridin- 4-yl)oxy]-3-fluorophenyl}-4-ethoxy- 1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine- 3-carboxamide | A | 3F82 | 0.7 | |
I05 | (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN- 3-YL}-ISONICOTINAMIDE | A | 1VEB | 0.7 | |
669 | 1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)- 1H-INDOLE-2-CARBOXYLIC ACID | A | 1MZS | 0.74 | |
A4L | 9-[(5-(ACETYLAMINO)-6-{[(1S,4R)- 8-AMINO-4-[((2R)-6-AMINO-2-{2-[(1S)- 5-AMINO-1-FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]- 1-(4-AMINOBUTYL)-2,3-DIOXOOCTYL]AMINO}- 6-OXOHEXYL)AMINO]-6-CHLORO-2-METHOXYACRIDINIUM | A,B | 1XCS | 0.75 | |
2RL | N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN- 4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE- 4-CARBOXAMIDE | A | 2RL5 | 0.7 | |
IMN | INDOMETHACIN | A | 2BXM | 0.75 | |
IMN | INDOMETHACIN | A | 3FO7 | 0.75 | |
IMN | INDOMETHACIN | A,B,C,D | 1Z9H | 0.75 | |
IMN | INDOMETHACIN | A | 2BXQ | 0.75 | |
IMN | INDOMETHACIN | A,B,C,D | 4COX | 0.75 | |
IMN | INDOMETHACIN | A | 2ALT | 0.75 | |
IMN | INDOMETHACIN | A | 2OTH | 0.75 | |
IMN | INDOMETHACIN | A,B | 2DM6 | 0.75 | |
IMN | INDOMETHACIN | A | 1S2A | 0.75 | |
IMN | INDOMETHACIN | A | 2ZB8 | 0.75 | |
IMN | INDOMETHACIN | A | 3HWZ | 0.75 | |
IMN | INDOMETHACIN | A | 2BXK | 0.75 | |
D3G | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.71 | |
CQA | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]- 2-[(DIETHYLAMINO)METHYL]PHENOL | A,B | 2AOU | 0.75 | |
I1H | 3-[2-(2,4-DICHLOROPHENYL)ETHOXY]- 4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN- 4-YL)METHYL]BENZAMIDE | B | 2BMG | 0.78 | |
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 | 0.74 | |
FMM | N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}- 6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)- 2-FURYL]-4-QUINAZOLINAMINE | B,D | 3BBT | 0.77 | |
FMM | N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}- 6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)- 2-FURYL]-4-QUINAZOLINAMINE | A | 1XKK | 0.77 | |
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 | 0.71 | |
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 | 0.71 | |
BI9 | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN- 4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)- N-METHYLBENZAMIDE | A | 2JKK | 0.73 | |
6IN | 4-(1-BENZYL-3-CARBAMOYLMETHYL-2- METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID | A | 1DB5 | 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 | 0.72 | |
887 | N-cyclopropyl-6-[(6,7-dimethoxyquinolin- 4-yl)oxy]naphthalene-1-carboxamide | A,B | 3B8R | 0.75 | |
QUN | QUINACRINE | A,B | 1JQE | 0.79 | |
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 | |
608 | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.7 | |
PIL | 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN- 4-YL)-4-METHOXYBENZAMIDE | A,B | 1XM4 | 0.75 | |
PIL | 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN- 4-YL)-4-METHOXYBENZAMIDE | A,B | 1XON | 0.75 | |
BAX | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- N-METHYLPYRIDINE-2-CARBOXAMIDE | A,B | 1UWH | 0.74 | |
BAX | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- N-METHYLPYRIDINE-2-CARBOXAMIDE | A,B | 1UWJ | 0.74 | |
D2G | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.72 | |
L11 | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)- PHENYL]-3-FLUORO- | A | 1W83 | 0.73 | |
4FR | 3'-chloro-5'-[6-({2-methoxy-4-[(1- methylpiperidin-4-yl)carbamoyl]phenyl}amino)- 3-methyl-1H-pyrazolo[4,3-c]pyridin- 1-yl]biphenyl-2-carboxamide | A | 3DBE | 0.7 | |
PLB | 2-[(2,4-DICHLOROBENZOYL)AMINO]- 5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | A,D | 3DZU | 0.76 | |
PLB | 2-[(2,4-DICHLOROBENZOYL)AMINO]- 5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | B | 2Q6S | 0.76 | |
PLB | 2-[(2,4-DICHLOROBENZOYL)AMINO]- 5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | X | 1WM0 | 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 | 0.71 | |
I04 | N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZOYLAMINO]- AZEPAN-3-YL}ISONICOTINAMIDE | A | 1SVG | 0.7 | |
IM8 | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1R)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYE | 0.75 | |
547 | 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3- B]PYRIDIN-4-AMINE | A | 2OF2 | 0.72 | |
897 | N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUK | 0.73 | |
IMS | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1S)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYU | 0.75 | |
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 | |
EHA | (5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}- 1H-INDOL-1-YL)ACETIC ACID | A | 2F4B | 0.71 | |
900 | N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin- 4-yl)oxy]naphthalene-1-carboxamide | A,B | 3B8Q | 0.79 | |
5FR | 4-({1-[3-(3-amino-3-oxopropyl)- 5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3- c]pyridin-6-yl}amino)-3-methoxy- N-(1-methylpiperidin-4-yl)benzamide | A | 3DBF | 0.71 | |
I3N | 1-BENZYL-5-METHOXY-2-METHYL-1H- INDOL-3-YL)-ACETIC ACID | A | 1DCY | 0.71 |