Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00933992
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 |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.7 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.7 | |
108 | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3B | 0.7 | |
108 | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3D | 0.7 | |
YTT | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine- 2,5-dione | A | 3G5H | 0.71 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.74 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.72 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.76 | |
11N | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.73 | |
HC6 | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3F2R | 0.72 | |
HC6 | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3G15 | 0.72 | |
ALE | L-EPINEPHRINE | A | 3PAH | 0.73 | |
ALE | L-EPINEPHRINE | A | 2HKK | 0.73 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.71 | |
109 | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3C | 0.7 | |
109 | 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)- PROPIONIC ACID | A | 1G3E | 0.7 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.71 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.71 | |
ARY | ARYLOMYCIN A2 | A,B | 1T7D | 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 | |
HV7 | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.71 | |
099 | (2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)- N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro- 1H-inden-1-yl]butanediamide | A,B | 3HYG | 0.72 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.71 | |
BM4 | 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl- 3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan- 3-yl]phenol | X | 2W6C | 0.79 | |
RHP | (3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL | A,B | 1S3E | 0.74 | |
REN | (S)-reticuline | A | 3FWA | 0.73 | |
REN | (S)-reticuline | A | 3D2D | 0.73 | |
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 | |
Y13 | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.73 | |
SLX | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.73 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.71 | |
3QC | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8- TETRAMETHYL-3,4-DIHYDROISOQUINOLINE- 2(1H)-CARBOXAMIDE | A,B | 2FME | 0.77 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.7 | |
442 | 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2- PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE- 1,1-DIOL | A | 1R6G | 0.7 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.71 | |
LDP | L-DOPAMINE | A,B | 2A3R | 0.71 | |
LDP | L-DOPAMINE | A | 5PAH | 0.71 | |
LDP | L-DOPAMINE | A,B | 2QMZ | 0.71 | |
LDP | L-DOPAMINE | A,B | 2VQ5 | 0.71 | |
BS2 | (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11- DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE | A,D,E | 2W8G | 0.72 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.7 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.74 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.74 | |
IFA | A,B | 3FC8 | 0.7 | ||
DPD | A,B | 1QIW | 0.75 | ||
DPD | A | 1QIV | 0.75 | ||
P12 | 4-[AMINO(IMINO)METHYL]-1-[2-(3- AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN- 1-IUM | B | 1UUI | 0.7 | |
SNP | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.7 | |
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.73 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.72 |