Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02180546
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 |
FPR | PROPYLBENZENE | C | 1RHK | 0.75 | |
341 | (3,5-difluorophenyl)methanol | C | 3EON | 0.73 | |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.74 | |
MBN | TOLUENE | A,B | 3D7O | 0.72 | |
MBN | TOLUENE | A,B | 1R1X | 0.72 | |
MBN | TOLUENE | A,B | 1JLX | 0.72 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.72 | |
MBN | TOLUENE | A,B | 2VRL | 0.72 | |
MBN | TOLUENE | A,I | 2Z3E | 0.72 | |
MBN | TOLUENE | A,B | 1YZI | 0.72 | |
MBN | TOLUENE | A,B | 2DN1 | 0.72 | |
MBN | TOLUENE | A,B | 3EN1 | 0.72 | |
R13 | 3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID | A | 2CBS | 0.7 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.71 | |
RS7 | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A,B | 2P0M | 0.74 | |
RS7 | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A | 1LOX | 0.74 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.72 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.78 | |
OXE | ORTHO-XYLENE | A | 188L | 0.78 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.79 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.79 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.79 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.79 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.79 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.79 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.71 | |
PXY | PARA-XYLENE | A | 187L | 0.73 | |
PXY | PARA-XYLENE | A | 225L | 0.73 | |
BDB | A,B | 1KE3 | 0.72 | ||
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.73 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.74 | |
DEN | INDENE | A | 183L | 0.72 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.85 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.7 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.73 | |
CVB | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.73 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.71 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.71 | |
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.77 | |
3PL | 3-PHENYLPROPANAL | E | 1Y3G | 0.7 | |
PYL | PHENYLETHANE | C | 1B07 | 0.75 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.75 | |
PYL | PHENYLETHANE | A | 1NHB | 0.75 | |
1LP | TRANYLCYPROMINE | A,B | 1OJB | 0.7 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.74 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.74 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.74 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.75 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.74 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.74 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.77 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.79 | |
PCR | P-CRESOL | A | 1JHV | 0.7 | |
PCR | P-CRESOL | A | 1JHU | 0.7 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.7 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.85 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.71 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.71 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.77 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.73 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.77 | |
ARL | 7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID | A | 1NQ7 | 0.72 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.75 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.85 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.85 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.85 | |
IOB | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.75 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.79 |