Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00615525
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 | ![]() |
OXE![]() | ORTHO-XYLENE | A,B | 3E0X | 0.73 | ![]() |
OXE![]() | ORTHO-XYLENE | A | 188L | 0.73 | ![]() |
BTM![]() | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.72 | ![]() |
2HS![]() | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.77 | ![]() |
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 | ![]() |
2HR![]() | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.77 | ![]() |
4CM![]() | (4-CARBAMIMIDOYLPHENYL)-METHYL- PHOSPHINIC ACID | A | 1TX7 | 0.71 | ![]() |
B69![]() | A | 2ZCR | 0.71 | ![]() | |
1PB![]() | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.71 | ![]() |
SB7![]() | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A | 2AI7 | 0.73 | ![]() |
SB7![]() | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A,B,C | 2AI8 | 0.73 | ![]() |
PXY![]() | PARA-XYLENE | A | 187L | 0.73 | ![]() |
PXY![]() | PARA-XYLENE | A | 225L | 0.73 | ![]() |
BDB![]() | A,B | 1KE3 | 0.72 | ![]() | |
GG3![]() | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2P1C | 0.82 | ![]() |
GG3![]() | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2Z7H | 0.82 | ![]() |
PPH![]() | [(1R)-1-amino-2-phenylethyl]phosphonic acid | A | 1OS0 | 0.81 | ![]() |
PPH![]() | [(1R)-1-amino-2-phenylethyl]phosphonic acid | E,I | 4TMN | 0.81 | ![]() |
PPH![]() | [(1R)-1-amino-2-phenylethyl]phosphonic acid | S | 1CGH | 0.81 | ![]() |
B70![]() | tripotassium (1R)-4-biphenyl-4- yl-1-phosphonatobutane-1-sulfonate | A | 2ZCS | 0.7 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.73 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.73 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.73 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.73 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.73 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.73 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.7 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.7 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.7 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.7 | ![]() |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.75 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.75 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.75 | ![]() |
FEP![]() | [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)- PHENYL]-BUTYL}-PHENYL)-DIFLUORO- METHYL]-PHOSPHONIC ACID | A | 1KAV | 0.74 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.75 | ![]() |
DPK![]() | DEPRENYL | A,B | 2BYB | 0.74 | ![]() |
PBA![]() | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.78 | ![]() |
PMI![]() | (2-AMINO-2,3-DIHYDRO-1H-INDEN-2- YL)PHOSPHONIC ACID | A,B,C,D,E,F, G,H | 2O7E | 0.74 | ![]() |
2BF![]() | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.76 | ![]() |
787![]() | (PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID | A | 1O4R | 0.82 | ![]() |
L18![]() | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.7 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.81 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.81 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.81 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.81 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.81 | ![]() |
EBP![]() | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.81 | ![]() |