Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03272389
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 |
IBP | IBUPROFEN | A | 3FKX | 0.73 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.73 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.73 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.73 | |
IBP | IBUPROFEN | A | 2PWS | 0.73 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.71 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.71 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.71 | |
1LP | TRANYLCYPROMINE | A,B | 1OJB | 0.71 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.7 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.77 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.73 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.74 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.72 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.72 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.72 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.74 | |
OXE | ORTHO-XYLENE | A | 188L | 0.74 | |
B28 | A,B | 2E9A | 0.7 | ||
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.73 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.73 | |
CLT | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.7 | |
CLT | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.7 | |
CLT | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.7 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.74 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.76 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.76 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.76 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.76 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.76 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.76 | |
PXY | PARA-XYLENE | A | 187L | 0.74 | |
PXY | PARA-XYLENE | A | 225L | 0.74 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.72 | |
MBN | TOLUENE | A,B | 3D7O | 0.71 | |
MBN | TOLUENE | A,B | 1R1X | 0.71 | |
MBN | TOLUENE | A,B | 1JLX | 0.71 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.71 | |
MBN | TOLUENE | A,B | 2VRL | 0.71 | |
MBN | TOLUENE | A,I | 2Z3E | 0.71 | |
MBN | TOLUENE | A,B | 1YZI | 0.71 | |
MBN | TOLUENE | A,B | 2DN1 | 0.71 | |
MBN | TOLUENE | A,B | 3EN1 | 0.71 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.74 | |
2HR | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.79 | |
PYL | PHENYLETHANE | C | 1B07 | 0.74 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.74 | |
PYL | PHENYLETHANE | A | 1NHB | 0.74 | |
2HS | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.79 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.73 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.73 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.71 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.71 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.71 | |
BDB | A,B | 1KE3 | 0.71 | ||
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.71 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.71 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.71 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.71 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.71 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.71 | |
TBC | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.7 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.73 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.73 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.73 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.72 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.72 |