Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02846359
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 |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.78 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.78 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.78 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.78 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.78 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.78 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.78 | |
HPH | PHENYLALANINDIOL | I | 1E5O | 0.72 | |
HPH | PHENYLALANINDIOL | A,B | 1ODX | 0.72 | |
HPH | PHENYLALANINDIOL | A,B | 1MTB | 0.72 | |
HPH | PHENYLALANINDIOL | A,B | 2FGV | 0.72 | |
HPH | PHENYLALANINDIOL | A | 1ODW | 0.72 | |
HPH | PHENYLALANINDIOL | A,B | 2FGU | 0.72 | |
HPH | PHENYLALANINDIOL | A,B | 1HXB | 0.72 | |
RHP | (3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL | A,B | 1S3E | 0.7 | |
LDP | L-DOPAMINE | A,B | 2A3R | 0.7 | |
LDP | L-DOPAMINE | A | 5PAH | 0.7 | |
LDP | L-DOPAMINE | A,B | 2QMZ | 0.7 | |
LDP | L-DOPAMINE | A,B | 2VQ5 | 0.7 | |
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.75 | |
GB2 | (2R,3R,4S)-2-({[(1S)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F1A | 0.74 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.72 | |
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.71 | |
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 | |
GB1 | (2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F18 | 0.74 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.78 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.78 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.78 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.78 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.78 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.78 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.78 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.73 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.74 | |
APL | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.7 | |
ALE | L-EPINEPHRINE | A | 3PAH | 0.77 | |
ALE | L-EPINEPHRINE | A | 2HKK | 0.77 | |
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 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.7 | |
BJI | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.71 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.72 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1MU0 | 0.72 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1XRL | 0.72 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.71 | |
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 | |
CTL | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.83 | |
GB3 | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL | A | 2F1B | 0.74 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.74 | |
4BZ | 4-(HYDROXYMETHYL)BENZAMIDINE | A | 1S6H | 0.71 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.74 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.73 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.74 | |
PHL | L-PHENYLALANINOL | A,B | 1JOH | 0.75 | |
PHL | L-PHENYLALANINOL | I | 3APR | 0.75 | |
PHL | L-PHENYLALANINOL | A | 1DLZ | 0.75 | |
PHL | L-PHENYLALANINOL | A | 1IH9 | 0.75 | |
PHL | L-PHENYLALANINOL | A | 1OB4 | 0.75 | |
PHL | L-PHENYLALANINOL | I | 2ER6 | 0.75 | |
PHL | L-PHENYLALANINOL | A | 1R9U | 0.75 | |
PHL | L-PHENYLALANINOL | A | 1OB7 | 0.75 | |
PHL | L-PHENYLALANINOL | A,B | 1OB6 | 0.75 | |
PHL | L-PHENYLALANINOL | A,B,C | 1AMT | 0.75 | |
LNR | L-NOREPINEPHRINE | A,B | 2QEO | 0.72 | |
LNR | L-NOREPINEPHRINE | A | 3DYE | 0.72 | |
LNR | L-NOREPINEPHRINE | A | 4PAH | 0.72 | |
PDH | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.75 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.7 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.7 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.74 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.74 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.74 | |
TTL | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.83 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.76 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.75 | |
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.75 | |
MN7 | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.71 | |
15M | (5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY- 2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT- 1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT- 5-ENAMIDE | A | 2F38 | 0.74 |