Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00025770
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 | |
1ZN | (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid | C,F,M,N | 2IAE | 0.7 | |
MAZ | FORMIC ACID 3-AMINO-BENZYL ESTER | H,L | 1JYQ | 0.71 | |
SDK | 1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]- L-LEUCYL]AMINO]-2-PROPANONE | A | 1AU0 | 0.7 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.73 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.73 | |
TB1 | (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID | A,B,C | 2NWW | 0.73 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1MU0 | 0.73 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1XRL | 0.73 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.71 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.73 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.73 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.73 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.72 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H9H | 0.72 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2HAL | 0.72 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2A4O | 0.72 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H6M | 0.72 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2CXV | 0.72 | |
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 | |
HPH | PHENYLALANINDIOL | I | 1E5O | 0.74 | |
HPH | PHENYLALANINDIOL | A,B | 1ODX | 0.74 | |
HPH | PHENYLALANINDIOL | A,B | 1MTB | 0.74 | |
HPH | PHENYLALANINDIOL | A,B | 2FGV | 0.74 | |
HPH | PHENYLALANINDIOL | A | 1ODW | 0.74 | |
HPH | PHENYLALANINDIOL | A,B | 2FGU | 0.74 | |
HPH | PHENYLALANINDIOL | A,B | 1HXB | 0.74 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.77 | |
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.78 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.71 | |
ZFB | (3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}- 2-OXO-4-PHENYLBUTANE-1-DIAZONIUM | A,B,C,D | 1PVJ | 0.73 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.74 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.76 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.74 | |
CTL | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.82 | |
505 | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.81 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.75 | |
BS1 | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE | A,F | 2W8F | 0.75 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.73 | |
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.73 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.7 | |
PDH | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.77 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.83 | |
MFD | (2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID | A | 1AY3 | 0.7 | |
PHL | L-PHENYLALANINOL | A,B | 1JOH | 0.77 | |
PHL | L-PHENYLALANINOL | I | 3APR | 0.77 | |
PHL | L-PHENYLALANINOL | A | 1DLZ | 0.77 | |
PHL | L-PHENYLALANINOL | A | 1IH9 | 0.77 | |
PHL | L-PHENYLALANINOL | A | 1OB4 | 0.77 | |
PHL | L-PHENYLALANINOL | I | 2ER6 | 0.77 | |
PHL | L-PHENYLALANINOL | A | 1R9U | 0.77 | |
PHL | L-PHENYLALANINOL | A | 1OB7 | 0.77 | |
PHL | L-PHENYLALANINOL | A,B | 1OB6 | 0.77 | |
PHL | L-PHENYLALANINOL | A,B,C | 1AMT | 0.77 | |
959 | benzyl (2-oxopropyl)carbamate | A | 3D62 | 0.73 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,M,N | 1FJM | 0.7 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVA | 0.7 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1LCM | 0.7 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYM | 0.7 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,I | 2IE3 | 0.7 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,X,Y | 2NPP | 0.7 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVC | 0.7 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,G,H | 3DW8 | 0.7 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYL | 0.7 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVD | 0.7 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVB | 0.7 | |
TTL | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.82 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.73 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.73 | |
0A9 | methyl L-phenylalaninate | A | 1AY2 | 0.71 | |
0A9 | methyl L-phenylalaninate | I | 5ER1 | 0.71 | |
0A9 | methyl L-phenylalaninate | I,P | 1HDT | 0.71 | |
BAD | (1S)-2-amino-1-phenylethyl 6-O- beta-L-glucopyranosyl-alpha-D-mannopyranoside | A | 2QJE | 0.75 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.73 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.71 | |
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.73 | |
SEM | 3-AMINO-4-OXYBENZYL-2-BUTANONE | A,B | 1THE | 0.85 | |
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 | 0.73 |