Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02996735
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 |
BGG![]() | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.74 | ![]() |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.75 | ![]() |
OXE![]() | ORTHO-XYLENE | A,B | 3E0X | 0.73 | ![]() |
OXE![]() | ORTHO-XYLENE | A | 188L | 0.73 | ![]() |
2HT![]() | 3-methylbenzonitrile | A,B | 3F88 | 0.75 | ![]() |
SS1![]() | 1-PHENYLETHANOL | H | 1UM5 | 0.7 | ![]() |
PBA![]() | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.76 | ![]() |
PXY![]() | PARA-XYLENE | A | 187L | 0.75 | ![]() |
PXY![]() | PARA-XYLENE | A | 225L | 0.75 | ![]() |
MBN![]() | TOLUENE | A,B | 3D7O | 0.75 | ![]() |
MBN![]() | TOLUENE | A,B | 1R1X | 0.75 | ![]() |
MBN![]() | TOLUENE | A,B | 1JLX | 0.75 | ![]() |
MBN![]() | TOLUENE | A,B,C,D | 3D17 | 0.75 | ![]() |
MBN![]() | TOLUENE | A,B | 2VRL | 0.75 | ![]() |
MBN![]() | TOLUENE | A,I | 2Z3E | 0.75 | ![]() |
MBN![]() | TOLUENE | A,B | 1YZI | 0.75 | ![]() |
MBN![]() | TOLUENE | A,B | 2DN1 | 0.75 | ![]() |
MBN![]() | TOLUENE | A,B | 3EN1 | 0.75 | ![]() |
RSO![]() | R-STYRENE OXIDE | A,B | 1PWZ | 0.77 | ![]() |
1PB![]() | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.71 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.72 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.72 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.72 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.72 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.72 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.72 | ![]() |
DEN![]() | INDENE | A | 183L | 0.7 | ![]() |
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 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.73 | ![]() |
2IB![]() | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.7 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.7 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.7 | ![]() |
4FA![]() | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.7 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.7 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.76 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.76 | ![]() |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.75 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.75 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.75 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.7 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.7 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.7 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.75 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A | 1EYW | 0.73 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.73 | ![]() |
CVB![]() | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.71 | ![]() |
MXN![]() | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.73 | ![]() |
OBZ![]() | O-benzylhydroxylamine | A,B | 3DTH | 0.77 | ![]() |
OBZ![]() | O-benzylhydroxylamine | A,B | 3DTG | 0.77 | ![]() |
3PL![]() | 3-PHENYLPROPANAL | E | 1Y3G | 0.73 | ![]() |
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 | ![]() |
12M![]() | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.7 | ![]() |
MNN![]() | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.73 | ![]() |