Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00490637
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 | |
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.73 | |
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.79 | |
BPN | PARANITROBENZYL ALCOHOL | H,L | 1YEG | 0.77 | |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 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 | |
4BZ | 4-(HYDROXYMETHYL)BENZAMIDINE | A | 1S6H | 0.72 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V97 | 0.71 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V98 | 0.71 | |
CFQ | 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]- arsenocholine | A,B | 2V96 | 0.71 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.81 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.81 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.81 | |
RNO | (R)-PARA-NITROSTYRENE OXIDE | A,B,C,D | 1ZMT | 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 | |
341 | (3,5-difluorophenyl)methanol | C | 3EON | 0.72 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.76 | |
CLC | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.71 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.72 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.79 | |
23N | (2R)-2-benzyl-3-nitropropanoic acid | A | 2RFH | 0.73 | |
HPH | PHENYLALANINDIOL | I | 1E5O | 0.75 | |
HPH | PHENYLALANINDIOL | A,B | 1ODX | 0.75 | |
HPH | PHENYLALANINDIOL | A,B | 1MTB | 0.75 | |
HPH | PHENYLALANINDIOL | A,B | 2FGV | 0.75 | |
HPH | PHENYLALANINDIOL | A | 1ODW | 0.75 | |
HPH | PHENYLALANINDIOL | A,B | 2FGU | 0.75 | |
HPH | PHENYLALANINDIOL | A,B | 1HXB | 0.75 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A | 2AI7 | 0.74 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A,B,C | 2AI8 | 0.74 | |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.71 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.71 | |
DHR | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.72 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.73 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.73 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.74 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.74 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.74 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.74 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.74 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.74 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.76 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.74 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.73 | |
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 | |
PDH | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.77 | |
CTL | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.8 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.81 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.71 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.72 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 1PX0 | 0.82 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A,B,C,D | 2ZHM | 0.82 | |
RPN | (R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL | A | 2ZHN | 0.82 | |
TYB | TYROSINAL | A,B | 1KDZ | 0.7 | |
TYB | TYROSINAL | A | 1Q11 | 0.7 | |
TYB | TYROSINAL | A,B | 2J5B | 0.7 | |
TYB | TYROSINAL | A,I | 1GA4 | 0.7 | |
TYB | TYROSINAL | A,B,C | 1NLU | 0.7 | |
TYB | TYROSINAL | A,B | 1KE1 | 0.7 | |
TYB | TYROSINAL | A,B | 1H3F | 0.7 | |
TYB | TYROSINAL | A,B | 1H3E | 0.7 | |
LNR | L-NOREPINEPHRINE | A,B | 2QEO | 0.73 | |
LNR | L-NOREPINEPHRINE | A | 3DYE | 0.73 | |
LNR | L-NOREPINEPHRINE | A | 4PAH | 0.73 | |
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 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.79 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.79 | |
OTR | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 2AN4 | 0.79 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.73 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.73 | |
IOB | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.74 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.7 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.77 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.76 | |
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.74 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.77 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG2 | 0.79 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RG1 | 0.79 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RH0 | 0.79 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGU | 0.79 | |
OTS | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL | A,B | 1RGT | 0.79 | |
SNO | (S)-PARA-NITROSTYRENE OXIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1ZO8 | 0.72 | |
TTL | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.8 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.71 | |
SOA | ISATOIC ANHYDRIDE | A | 1BIO | 0.7 |