Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03294663
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 |
PXY![]() | PARA-XYLENE | A | 187L | 0.78 | ![]() |
PXY![]() | PARA-XYLENE | A | 225L | 0.78 | ![]() |
MBN![]() | TOLUENE | A,B | 3D7O | 0.78 | ![]() |
MBN![]() | TOLUENE | A,B | 1R1X | 0.78 | ![]() |
MBN![]() | TOLUENE | A,B | 1JLX | 0.78 | ![]() |
MBN![]() | TOLUENE | A,B,C,D | 3D17 | 0.78 | ![]() |
MBN![]() | TOLUENE | A,B | 2VRL | 0.78 | ![]() |
MBN![]() | TOLUENE | A,I | 2Z3E | 0.78 | ![]() |
MBN![]() | TOLUENE | A,B | 1YZI | 0.78 | ![]() |
MBN![]() | TOLUENE | A,B | 2DN1 | 0.78 | ![]() |
MBN![]() | TOLUENE | A,B | 3EN1 | 0.78 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.82 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.82 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.82 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.82 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A | 1EYW | 0.82 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.82 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.74 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.74 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.74 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.74 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.74 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.74 | ![]() |
2IB![]() | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.73 | ![]() |
4FA![]() | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.79 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.81 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.81 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.81 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.74 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.74 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.74 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.74 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.74 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.74 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.74 | ![]() |
1PB![]() | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.71 | ![]() |
BDB![]() | A,B | 1KE3 | 0.72 | ![]() | |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.78 | ![]() |
DEN![]() | INDENE | A | 183L | 0.7 | ![]() |
NDH![]() | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.72 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | D,H | 2I0S | 0.72 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6Y | 0.72 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6Z | 0.72 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | D,H | 2OK4 | 0.72 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6U | 0.72 | ![]() |
RS7![]() | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A,B | 2P0M | 0.73 | ![]() |
RS7![]() | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A | 1LOX | 0.73 | ![]() |
24B![]() | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.72 | ![]() |
RSO![]() | R-STYRENE OXIDE | A,B | 1PWZ | 0.7 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.74 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.74 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.74 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.74 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.74 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.74 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.74 | ![]() |
SB7![]() | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A | 2AI7 | 0.71 | ![]() |
SB7![]() | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A,B,C | 2AI8 | 0.71 | ![]() |
269![]() | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.73 | ![]() |
PHL![]() | L-PHENYLALANINOL | A,B | 1JOH | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | I | 3APR | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1DLZ | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1IH9 | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1OB4 | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | I | 2ER6 | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1R9U | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1OB7 | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | A,B | 1OB6 | 0.7 | ![]() |
PHL![]() | L-PHENYLALANINOL | A,B,C | 1AMT | 0.7 | ![]() |
OBZ![]() | O-benzylhydroxylamine | A,B | 3DTH | 0.7 | ![]() |
OBZ![]() | O-benzylhydroxylamine | A,B | 3DTG | 0.7 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.7 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.7 | ![]() |
1LP![]() | TRANYLCYPROMINE | A,B | 1OJB | 0.7 | ![]() |
PDH![]() | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.7 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.76 | ![]() |
CVB![]() | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.71 | ![]() |
MXN![]() | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.73 | ![]() |
SS1![]() | 1-PHENYLETHANOL | H | 1UM5 | 0.81 | ![]() |
PBA![]() | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.78 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z | 1VQ6 | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z | 1VQP | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z | 1VQN | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.71 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.71 | ![]() |
3PL![]() | 3-PHENYLPROPANAL | E | 1Y3G | 0.73 | ![]() |
OXE![]() | ORTHO-XYLENE | A,B | 3E0X | 0.76 | ![]() |
OXE![]() | ORTHO-XYLENE | A | 188L | 0.76 | ![]() |
12M![]() | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.77 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.72 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.72 | ![]() |
TCA![]() | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.72 | ![]() |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.78 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.78 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.78 | ![]() |
IOB![]() | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.73 | ![]() |
DFB![]() | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.72 | ![]() |
DFB![]() | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.72 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.78 | ![]() |
PPP![]() | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.82 | ![]() |
PTF![]() | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.71 | ![]() |
341![]() | (3,5-difluorophenyl)methanol | C | 3EON | 0.71 | ![]() |
MNN![]() | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.73 | ![]() |