Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02580510
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 |
K55 | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.72 | |
DCH | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2- YL)-PROPIONIC ACID ETHYL ESTER | H | 1UVU | 0.76 | |
323 | 2-[3,6-bis(dimethylamino)xanthen- 9-yl]-5-methanoyl-benzoate | A,P,Q | 3D1F | 0.72 | |
BX3 | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]- 3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | A | 1MTV | 0.8 | |
BX3 | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]- 3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | A | 1MTU | 0.8 | |
BX3 | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]- 3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | A | 1MTS | 0.8 | |
FDS | FLUORESCIN | H | 4FAB | 0.71 | |
U01 | 3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE | A | 1UPJ | 0.7 | |
401 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.71 | |
AAY | 8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)- 6-METHOXY-2-NAPHTHYL]METHYL}-6- OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL- 1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN- 1-YL 2-METHYLBUTANOATE | A,B | 1XDD | 0.72 | |
AGG | TIROFIBAN | A,B | 2VDM | 0.7 | |
RNP | (1E,2R)-1-(ISOPROPYLIMINO)-3-(1- NAPHTHYLOXY)PROPAN-2-OL | X | 1H46 | 0.7 | |
U03 | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.72 | |
T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | X | 1Y0X | 0.72 | |
T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | A | 1HK1 | 0.72 | |
T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | C,D | 1ICT | 0.72 | |
T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | A | 2RIW | 0.72 | |
T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | A,B | 2ROX | 0.72 | |
T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | A,B | 1IE4 | 0.72 | |
T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | 1,2 | 1ETB | 0.72 | |
T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | 1,2 | 1ETA | 0.72 | |
T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | A,B,C | 1SN0 | 0.72 | |
T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | A,B | 2CEO | 0.72 | |
T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | A,B | 1F86 | 0.72 | |
T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | A | 1HK4 | 0.72 | |
T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | A | 1HK2 | 0.72 | |
T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | A | 1HK5 | 0.72 | |
T44 | 3,5,3',5'-TETRAIODO-L-THYRONINE | A | 1HK3 | 0.72 | |
WRR | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.7 | |
HXP | 3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID | A | 1XAN | 0.71 | |
DEO | A,B | 1ROS | 0.72 | ||
BGF | 2,5-BIS(4-GUANYLPHENYL)FURAN | A | 227D | 0.7 | |
MTJ | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.72 | |
296 | (3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid | A,B | 2RJS | 0.71 | |
IKR | methyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate | A,C,D,E,N,P, Q,R | 3H1K | 0.73 | |
WRS | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.7 | |
RWF | R-WARFARIN | A,B | 2BXD | 0.72 | |
SHP | (4-HYDROXYMALTOSEPHENYL)GLYCINE | A | 1DSR | 0.7 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.7 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.7 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.7 | |
BPF | 2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURAN | A,B | 360D | 0.73 | |
965 | (3-{3-[[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2- DIPHENYLETHYL)AMINO]PROPOXY}PHENYL)ACETIC ACID | A,B,D | 1PQ6 | 0.72 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.73 | |
SWF | S-WARFARIN | A,B | 1OG5 | 0.72 | |
DX9 | (2S)-3-(7-carbamimidoylnaphthalen- 2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin- 3-yl}oxy)phenyl]propanoic acid | A | 1FAX | 0.79 | |
DX9 | (2S)-3-(7-carbamimidoylnaphthalen- 2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin- 3-yl}oxy)phenyl]propanoic acid | A | 1MTW | 0.79 | |
167 | 6-CARBAMIMIDOYL-2-[2-HYDROXY-5- (3-METHOXY-PHENYL)-INDAN-1-YL]- HEXANOIC ACID | B,I | 1QJ6 | 0.7 | |
HV8 | BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINE | C | 1A8G | 0.71 | |
BHP | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.74 | |
886 | N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl- 4-yl}sulfonyl)-D-valine | A,B,C,D | 2RJP | 0.72 | |
DBO | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE- 10-CARBOXAMIDE | A,B,C,D | 2EWY | 0.71 | |
TOL | TOLRESTAT | A | 2PDL | 0.71 | |
TOL | TOLRESTAT | A | 2FZD | 0.71 | |
TOL | TOLRESTAT | A | 2FZB | 0.71 | |
TOL | TOLRESTAT | A | 1AH3 | 0.71 | |
TOL | TOLRESTAT | X | 1ZUA | 0.71 | |
TOL | TOLRESTAT | A | 1AE4 | 0.71 | |
S44 | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)- tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid | A | 2ZNN | 0.72 | |
S44 | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)- tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid | A,B | 2ZNO | 0.72 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.72 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.72 | |
CUP | (N-SALICYLIDEN-L-PHENYLALANATO)- COPPER(II) | A | 2EB8 | 0.73 | |
T33 | 3,3'-DEIODO-THYROXINE | A,B | 1THA | 0.73 | |
RHQ | RHODAMINE 6G | A,B,D,E | 1JUS | 0.73 | |
RHQ | RHODAMINE 6G | A,B,D,E | 3BR5 | 0.73 | |
RHQ | RHODAMINE 6G | A,D,E | 3BR6 | 0.73 | |
RHQ | RHODAMINE 6G | A,B | 3D6Z | 0.73 | |
RHQ | RHODAMINE 6G | A | 1OY8 | 0.73 | |
RHQ | RHODAMINE 6G | A | 1T9V | 0.73 |