Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02544143
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 |
5PP![]() | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.76 | ![]() |
EGT![]() | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL | A | 1JNQ | 0.76 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A,B | 2QEO | 0.82 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A | 3DYE | 0.82 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A | 4PAH | 0.82 | ![]() |
REN![]() | (S)-reticuline | A | 3FWA | 0.72 | ![]() |
REN![]() | (S)-reticuline | A | 3D2D | 0.72 | ![]() |
5RM![]() | (5R)-5-(4-methoxy-3-propoxyphenyl)- 5-methyl-1,3-oxazolidin-2-one | A,B | 1XM6 | 0.72 | ![]() |
8PS![]() | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.76 | ![]() |
4MU![]() | 7-hydroxy-4-methyl-2H-chromen-2- one | A,B | 3ETS | 0.71 | ![]() |
VXX![]() | VANILLATE | A,B | 1WB6 | 0.72 | ![]() |
AEH![]() | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.75 | ![]() |
AED![]() | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.71 | ![]() |
261![]() | 2-ethoxyphenol | X | 2RB1 | 0.7 | ![]() |
ZHZ![]() | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.72 | ![]() |
DAH![]() | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1RNR | 0.74 | ![]() |
DAH![]() | 3,4-DIHYDROXYPHENYLALANINE | A | 6PAH | 0.74 | ![]() |
DAH![]() | 3,4-DIHYDROXYPHENYLALANINE | A,B | 1IVV | 0.74 | ![]() |
ESM![]() | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.71 | ![]() |
MPP![]() | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.73 | ![]() |
ANM![]() | ANISOMYCIN | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1K73 | 0.71 | ![]() |
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 | 0.71 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 1L4G | 0.71 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 2EHZ | 0.71 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A,B | 1DMH | 0.71 | ![]() |
PIT![]() | PICEATANNOL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ1 | 0.73 | ![]() |
PZM![]() | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.76 | ![]() |
ZHH![]() | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.79 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.7 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.7 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.77 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.77 | ![]() |
OTR![]() | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.77 | ![]() |
MBD![]() | 3-METHYLCATECHOL | A | 1KNF | 0.7 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.71 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.71 | ![]() |
H53![]() | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FF5 | 0.7 | ![]() |
H53![]() | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FET | 0.7 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.77 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.77 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.77 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.77 | ![]() |
OTS![]() | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.77 | ![]() |
226![]() | naphthalene-1,2,4,5,7-pentol | A,B | 2NZ5 | 0.7 | ![]() |
AEG![]() | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.75 | ![]() |
UQ6![]() | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | C,D,E | 1EZV | 0.8 | ![]() |
UQ6![]() | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | A,C,D,E | 1P84 | 0.8 | ![]() |
UQ6![]() | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | C,D,E | 2IBZ | 0.8 | ![]() |
UQ6![]() | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | A,C,D,E | 1KB9 | 0.8 | ![]() |
4HM![]() | 4-HYDROPEROXY-2-METHOXY-PHENOL | A | 1HU9 | 0.75 | ![]() |
AHT![]() | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.72 | ![]() |
SXX![]() | SINAPINATE | A,B | 1WB4 | 0.81 | ![]() |
AEF![]() | 4-(2-aminoethyl)phenol | A | 3BRA | 0.75 | ![]() |
KOM![]() | 7,8-dihydroxy-4-phenyl-2H-chromen- 2-one | A | 2ZVJ | 0.74 | ![]() |
TY3![]() | 3-HYDROXY-L-TYROSINE | A,B | 2VH3 | 0.74 | ![]() |
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 | 0.73 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 3PAH | 0.79 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 2HKK | 0.79 | ![]() |
MTJ![]() | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.71 | ![]() |
4FE![]() | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.75 | ![]() |
HV7![]() | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.86 | ![]() |
HFL![]() | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.83 | ![]() |
SLX![]() | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.7 | ![]() |
SYR![]() | SYRINGATE | A,B | 1WB5 | 0.75 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.81 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.81 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.81 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.81 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.81 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.81 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.81 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.81 | ![]() |
MR1![]() | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.76 | ![]() |
FX3![]() | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.7 | ![]() |
296![]() | (3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid | A,B | 2RJS | 0.7 | ![]() |
MGI![]() | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.7 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.75 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.75 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.75 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.75 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.75 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.75 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.75 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.75 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.75 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.75 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.75 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2A3R | 0.83 | ![]() |
LDP![]() | L-DOPAMINE | A | 5PAH | 0.83 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2QMZ | 0.83 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2VQ5 | 0.83 | ![]() |
TMS![]() | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.72 | ![]() |