Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02218120
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 |
NPY![]() | NAPHTHALENE | A,B | 1O7G | 1 | ![]() |
PEY![]() | PHENANTHRENE | A,B | 2HML | 0.91 | ![]() |
PEY![]() | PHENANTHRENE | A,B | 2HMK | 0.91 | ![]() |
AN3![]() | ANTHRACENE | A,B | 2HMN | 0.91 | ![]() |
AN3![]() | ANTHRACENE | A,B | 2HMM | 0.91 | ![]() |
1PB![]() | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.88 | ![]() |
OXE![]() | ORTHO-XYLENE | A,B | 3E0X | 0.87 | ![]() |
OXE![]() | ORTHO-XYLENE | A | 188L | 0.87 | ![]() |
BDB![]() | A,B | 1KE3 | 0.85 | ![]() | |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.84 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.84 | ![]() |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.84 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.84 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.84 | ![]() |
DEN![]() | INDENE | A | 183L | 0.83 | ![]() |
PBA![]() | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.82 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.82 | ![]() |
MBN![]() | TOLUENE | A,B | 3D7O | 0.81 | ![]() |
MBN![]() | TOLUENE | A,B | 1R1X | 0.81 | ![]() |
MBN![]() | TOLUENE | A,B | 1JLX | 0.81 | ![]() |
MBN![]() | TOLUENE | A,B,C,D | 3D17 | 0.81 | ![]() |
MBN![]() | TOLUENE | A,B | 2VRL | 0.81 | ![]() |
MBN![]() | TOLUENE | A,I | 2Z3E | 0.81 | ![]() |
MBN![]() | TOLUENE | A,B | 1YZI | 0.81 | ![]() |
MBN![]() | TOLUENE | A,B | 2DN1 | 0.81 | ![]() |
MBN![]() | TOLUENE | A,B | 3EN1 | 0.81 | ![]() |
PXY![]() | PARA-XYLENE | A | 187L | 0.81 | ![]() |
PXY![]() | PARA-XYLENE | A | 225L | 0.81 | ![]() |
NAS![]() | 2-NAPHTHALENESULFONIC ACID | I | 1QUR | 0.78 | ![]() |
NAS![]() | 2-NAPHTHALENESULFONIC ACID | E,I | 1PPC | 0.78 | ![]() |
NAS![]() | 2-NAPHTHALENESULFONIC ACID | H | 1ETS | 0.78 | ![]() |
FNP![]() | {[7-(DIFLUORO-PHOSPHONO-METHYL)- NAPHTHALEN-2-YL]-DIFLUORO-METHYL}- PHOSPHONIC ACID | A | 1KAK | 0.77 | ![]() |
BIH![]() | NAPHTHALENE-2,6-DISULFONIC ACID | A | 1U4S | 0.76 | ![]() |
2IB![]() | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.76 | ![]() |
B2Y![]() | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.75 | ![]() |
PTF![]() | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.73 | ![]() |
NTS![]() | NAPHTHALENE TRISULFONATE | A | 1RML | 0.73 | ![]() |
BP4![]() | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.73 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.73 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.73 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.73 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.73 | ![]() |
2NA![]() | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTO | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTM | 0.72 | ![]() |
BPS![]() | A,B | 2DE4 | 0.72 | ![]() | |
3PL![]() | 3-PHENYLPROPANAL | E | 1Y3G | 0.71 | ![]() |
TTA![]() | TETRAPHENYL-ARSONIUM | A | 1HYV | 0.71 | ![]() |
118![]() | TETRAPHENYLANTIMONIUM ION | A | 1EXI | 0.71 | ![]() |
9TA![]() | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE | A,B | 1FDG | 0.71 | ![]() |
2HT![]() | 3-methylbenzonitrile | A,B | 3F88 | 0.71 | ![]() |
IBZ![]() | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.7 | ![]() |
ANQ![]() | ACENAPHTHENEQUINONE | H,J | 1OAX | 0.7 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1GT5 | 0.7 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1DZP | 0.7 | ![]() |