Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023449
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 |
N4B | N-BUTYLBENZENE | A | 186L | 0.83 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.76 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.76 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.72 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.72 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.72 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.72 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.76 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.76 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.72 | |
2IB | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.85 | |
NPY | NAPHTHALENE | A,B | 1O7G | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.75 | |
BDB | A,B | 1KE3 | 0.73 | ||
PYL | PHENYLETHANE | C | 1B07 | 0.83 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.83 | |
PYL | PHENYLETHANE | A | 1NHB | 0.83 | |
PTF | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.72 | |
MFG | (1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN- 1-IMINE | A,B | 2VZ2 | 0.72 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.8 | |
BNZ | BENZENE | A | 1L83 | 0.7 | |
BNZ | BENZENE | A | 1CP4 | 0.7 | |
BNZ | BENZENE | A,B,C,D | 1XXJ | 0.7 | |
BNZ | BENZENE | B | 1SWI | 0.7 | |
BNZ | BENZENE | A | 181L | 0.7 | |
BNZ | BENZENE | A | 223L | 0.7 | |
BNZ | BENZENE | A | 3DMX | 0.7 | |
BNZ | BENZENE | A | 2Z9G | 0.7 | |
BNZ | BENZENE | A | 220L | 0.7 | |
BNZ | BENZENE | A | 227L | 0.7 | |
BNZ | BENZENE | A,B | 1A7Z | 0.7 | |
BNZ | BENZENE | A | 1L84 | 0.7 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.8 | |
OXE | ORTHO-XYLENE | A | 188L | 0.8 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.71 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.71 | |
MBN | TOLUENE | A,B | 3D7O | 0.79 | |
MBN | TOLUENE | A,B | 1R1X | 0.79 | |
MBN | TOLUENE | A,B | 1JLX | 0.79 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.79 | |
MBN | TOLUENE | A,B | 2VRL | 0.79 | |
MBN | TOLUENE | A,I | 2Z3E | 0.79 | |
MBN | TOLUENE | A,B | 1YZI | 0.79 | |
MBN | TOLUENE | A,B | 2DN1 | 0.79 | |
MBN | TOLUENE | A,B | 3EN1 | 0.79 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.83 | |
IBZ | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.79 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.78 | |
PIH | IODOPHENYL | A | 1UO5 | 0.75 | |
PIH | IODOPHENYL | A | 3DNA | 0.75 | |
PIH | IODOPHENYL | A | 1F9O | 0.75 | |
PIH | IODOPHENYL | A,B | 1UO4 | 0.75 | |
PIH | IODOPHENYL | A | 3DN4 | 0.75 | |
DEN | INDENE | A | 183L | 0.76 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.7 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.7 | |
ABN | BENZYLAMINE | A | 1UTN | 0.7 | |
ABN | BENZYLAMINE | A | 1N6X | 0.7 | |
ABN | BENZYLAMINE | A | 2BZA | 0.7 | |
ABN | BENZYLAMINE | A | 2EUS | 0.7 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.7 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.7 | |
PXY | PARA-XYLENE | A | 187L | 0.8 | |
PXY | PARA-XYLENE | A | 225L | 0.8 | |
PHG | PHENYLMERCURY | A | 1CZS | 0.7 | |
260 | 2-(bromomethyl)-1,3-difluorobenzene | X | 2RB0 | 0.7 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.8 | |
2HT | 3-methylbenzonitrile | A,B | 3F88 | 0.88 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.72 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.72 |