Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01988855
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 |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.77 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.77 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.77 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.77 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.77 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.77 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.77 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.74 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.8 | |
PYY | D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE | A | 1G2J | 0.74 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.71 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.71 | |
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 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.74 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.76 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.76 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.76 | |
SEM | 3-AMINO-4-OXYBENZYL-2-BUTANONE | A,B | 1THE | 0.81 | |
CMZ | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.74 | |
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 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.72 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.72 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.72 | |
BAD | (1S)-2-amino-1-phenylethyl 6-O- beta-L-glucopyranosyl-alpha-D-mannopyranoside | A | 2QJE | 0.79 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.77 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.77 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.77 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.77 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.77 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.77 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.77 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,M,N | 1FJM | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVA | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1LCM | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYM | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,I | 2IE3 | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,X,Y | 2NPP | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVC | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,G,H | 3DW8 | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYL | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVD | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVB | 0.71 | |
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 | 0.75 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.71 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.72 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H9H | 0.73 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2HAL | 0.73 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2A4O | 0.73 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H6M | 0.73 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2CXV | 0.73 | |
505 | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.75 | |
FFD | (1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)- 5-O-phosphono-D-erythro-pentitol | A,B,C,D,E,F, G,H,I,J,K,L | 2PIS | 0.73 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.75 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.71 | |
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.72 | |
HPH | PHENYLALANINDIOL | I | 1E5O | 0.73 | |
HPH | PHENYLALANINDIOL | A,B | 1ODX | 0.73 | |
HPH | PHENYLALANINDIOL | A,B | 1MTB | 0.73 | |
HPH | PHENYLALANINDIOL | A,B | 2FGV | 0.73 | |
HPH | PHENYLALANINDIOL | A | 1ODW | 0.73 | |
HPH | PHENYLALANINDIOL | A,B | 2FGU | 0.73 | |
HPH | PHENYLALANINDIOL | A,B | 1HXB | 0.73 | |
ALE | L-EPINEPHRINE | A | 3PAH | 0.7 | |
ALE | L-EPINEPHRINE | A | 2HKK | 0.7 | |
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 | |
KI2 | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | A,B,I,J | 1NH0 | 0.71 | |
KI2 | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | I | 1U8G | 0.71 | |
TB1 | (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID | A,B,C | 2NWW | 0.77 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.71 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.74 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.71 | |
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.72 | |
SNP | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.74 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.73 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.73 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.76 | |
LNR | L-NOREPINEPHRINE | A,B | 2QEO | 0.73 | |
LNR | L-NOREPINEPHRINE | A | 3DYE | 0.73 | |
LNR | L-NOREPINEPHRINE | A | 4PAH | 0.73 | |
TTL | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.76 | |
GB1 | (2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F18 | 0.71 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.76 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.76 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.76 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.76 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.76 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1MU0 | 0.71 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1XRL | 0.71 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.7 | |
NF2 | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL | A,B | 2G92 | 0.71 | |
NF2 | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL | A,B,C,D | 2Q1O | 0.71 | |
GB3 | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL | A | 2F1B | 0.72 | |
GB2 | (2R,3R,4S)-2-({[(1S)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F1A | 0.71 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.76 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.76 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.76 | |
ANM | ANISOMYCIN | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1K73 | 0.73 | |
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 | 0.73 | |
PDH | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.74 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A | 1BW7 | 0.71 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,T | 2VA3 | 0.71 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,B,D,F | 2V9W | 0.71 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,B,D,E,F | 2VA2 | 0.71 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | 1,2 | 1EEK | 0.71 | |
959 | benzyl (2-oxopropyl)carbamate | A | 3D62 | 0.74 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.71 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.79 | |
CTL | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.76 | |
SBA | CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE | A | 1BQI | 0.72 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.76 | |
FOS | [[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE | A | 1BLH | 0.71 | |
FOS | [[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE | A | 1AXB | 0.71 | |
MFD | (2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID | A | 1AY3 | 0.75 | |
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.73 | |
PHL | L-PHENYLALANINOL | A,B | 1JOH | 0.74 | |
PHL | L-PHENYLALANINOL | I | 3APR | 0.74 | |
PHL | L-PHENYLALANINOL | A | 1DLZ | 0.74 | |
PHL | L-PHENYLALANINOL | A | 1IH9 | 0.74 | |
PHL | L-PHENYLALANINOL | A | 1OB4 | 0.74 | |
PHL | L-PHENYLALANINOL | I | 2ER6 | 0.74 | |
PHL | L-PHENYLALANINOL | A | 1R9U | 0.74 | |
PHL | L-PHENYLALANINOL | A | 1OB7 | 0.74 | |
PHL | L-PHENYLALANINOL | A,B | 1OB6 | 0.74 | |
PHL | L-PHENYLALANINOL | A,B,C | 1AMT | 0.74 |