Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02125516
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 |
3QC![]() | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.79 | ![]() |
AEJ![]() | (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2- A]PYRAZIN-2-YL]PHENYL}-2-PHENYL- 1,2,3,4-TETRAHYDROISOQUINOLIN-6- OL | A,B,C,D | 1XQC | 0.75 | ![]() |
SLX![]() | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.83 | ![]() |
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 | 0.72 | ![]() |
BM4![]() | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol | X | 2W6C | 0.71 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2A3R | 0.74 | ![]() |
LDP![]() | L-DOPAMINE | A | 5PAH | 0.74 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2QMZ | 0.74 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2VQ5 | 0.74 | ![]() |
Y13![]() | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.75 | ![]() |
AEH![]() | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.7 | ![]() |
RHP![]() | (3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL | A,B | 1S3E | 0.74 | ![]() |
ECA![]() | N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE) | A,B | 2CHU | 0.7 | ![]() |
YTT![]() | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine- 2,5-dione | A | 3G5H | 0.7 | ![]() |
PTI![]() | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL- ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-6-OL | A | 1UOM | 0.71 | ![]() |
DPD![]() | A,B | 1QIW | 0.74 | ![]() | |
DPD![]() | A | 1QIV | 0.74 | ![]() | |
AED![]() | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.72 | ![]() |
OI1![]() | 3-(4-HYDROXYBENZYL)-2-[1-({[2-(4- HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]- 4-OXO-3,6,11,11A-TETRAHYDRO-4H- PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM- 1-OLATE | A,B | 1Q9D | 0.72 | ![]() |
REN![]() | (S)-reticuline | A | 3FWA | 0.83 | ![]() |
REN![]() | (S)-reticuline | A | 3D2D | 0.83 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A,B | 2QEO | 0.72 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A | 3DYE | 0.72 | ![]() |
LNR![]() | L-NOREPINEPHRINE | A | 4PAH | 0.72 | ![]() |
SAF![]() | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.72 | ![]() |
SAF![]() | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.72 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 3PAH | 0.76 | ![]() |
ALE![]() | L-EPINEPHRINE | A | 2HKK | 0.76 | ![]() |