Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02303131
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 |
RFX![]() | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.7 | ![]() |
5PP![]() | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.71 | ![]() |
L01![]() | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.7 | ![]() |
8PS![]() | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.71 | ![]() |
505![]() | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.7 | ![]() |
REN![]() | (S)-reticuline | A | 3FWA | 0.77 | ![]() |
REN![]() | (S)-reticuline | A | 3D2D | 0.77 | ![]() |
442![]() | 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2- PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE- 1,1-DIOL | A | 1R6G | 0.71 | ![]() |
SFX![]() | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.7 | ![]() |
NMB![]() | 2,7-DIBENZYL-1,1-DIOXO-3,6-BIS- PHENOXYMETHYL-[1,2,7]THIADIAZEPANE- 4,5-DIOL | A | 1AJV | 0.7 | ![]() |
AHT![]() | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.71 | ![]() |
C4M![]() | N-[(2R,3S)-3-AMINO-2-HYDROXY-4- PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE | B,I | 2C93 | 0.75 | ![]() |
XX7![]() | 2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3R | 0.74 | ![]() |
YR3![]() | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)- 2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)propyl]-2-methylphenoxy}propane- 1,2-diol | A | 2ZFX | 0.71 | ![]() |
C41![]() | ALISKIREN | C,O | 2V0Z | 0.72 | ![]() |
HV8![]() | BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINE | C | 1A8G | 0.74 | ![]() |
XX6![]() | 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3I | 0.74 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 3PAH | 0.73 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 2HKK | 0.73 | ![]() |
MR1![]() | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.72 | ![]() |
PZM![]() | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.71 | ![]() |
H53![]() | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FF5 | 0.72 | ![]() |
H53![]() | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FET | 0.72 | ![]() |
TL2![]() | 2-O-{4-[AMINO(IMINO)METHYL]PHENYL}- 5-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y5A | 0.72 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.72 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.72 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.72 | ![]() |
CM4![]() | (2R,3R,4S)-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIM | 0.7 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A,B | 2QEO | 0.76 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A | 3DYE | 0.76 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A | 4PAH | 0.76 | ![]() |
JJ3![]() | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2JJ3 | 0.7 | ![]() |
JJ3![]() | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2QE4 | 0.7 | ![]() |
C61![]() | (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4- HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]- 2,8-DIMETHYLNONANAMIDE | C,O | 2V10 | 0.73 | ![]() |
296![]() | (3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid | A,B | 2RJS | 0.71 | ![]() |
GNT![]() | (-)-GALANTHAMINE | A | 1DX6 | 0.75 | ![]() |
GNT![]() | (-)-GALANTHAMINE | A | 1QTI | 0.75 | ![]() |
GNT![]() | (-)-GALANTHAMINE | A,B,C,D,E | 2PH9 | 0.75 | ![]() |
GNT![]() | (-)-GALANTHAMINE | A,B | 1W76 | 0.75 | ![]() |
GNT![]() | (-)-GALANTHAMINE | A | 1W6R | 0.75 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.72 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.72 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.72 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.72 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.72 | ![]() |
MOI![]() | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A- HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2- E]ISOQUINOLINE-7,9-DIOL | H,L | 1Q0Y | 0.7 | ![]() |
HV7![]() | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.79 | ![]() |
GVB![]() | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)- 3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | A,B | 2JID | 0.7 | ![]() |
TMS![]() | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.75 | ![]() |
SNP![]() | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.75 | ![]() |
TXF![]() | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.7 | ![]() |
TL1![]() | 2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y59 | 0.72 | ![]() |
5RM![]() | (5R)-5-(4-methoxy-3-propoxyphenyl)- 5-methyl-1,3-oxazolidin-2-one | A,B | 1XM6 | 0.71 | ![]() |
LOC![]() | N-[(7S)-1,2,3,10-tetramethoxy-9- oxo-6,7-dihydro-5H-benzo[d]heptalen- 7-yl]ethanamide | A,B,C,D | 3E22 | 0.72 | ![]() |
HFL![]() | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.71 | ![]() |
SHP![]() | (4-HYDROXYMALTOSEPHENYL)GLYCINE | A | 1DSR | 0.75 | ![]() |
TL4![]() | 2-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 5-O-{4-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y5U | 0.72 | ![]() |
ANM![]() | ANISOMYCIN | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1K73 | 0.74 | ![]() |
ANM![]() | ANISOMYCIN | 0,1,3,9,A,B, C,F,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 3CC4 | 0.74 | ![]() |
AHF![]() | 2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]- 7-(4-HYDROXYMETHYL-BENZYL)-1,1- DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6- [1,2,7]THIADIAZEPANE-4,5-DIOL | B | 1G35 | 0.7 | ![]() |
DPD![]() | A,B | 1QIW | 0.77 | ![]() | |
DPD![]() | A | 1QIV | 0.77 | ![]() | |
EGT![]() | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL | A | 1JNQ | 0.73 | ![]() |
SLX![]() | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.77 | ![]() |
A88![]() | (5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)- 1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4- TRIAZACYCLOHEPTANE | A | 1PRO | 0.7 | ![]() |