Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02426658
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 |
745 | TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE- 2-CARBOXAMIDINE | A | 1U6Q | 0.74 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.78 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.78 | |
9AP | 9-AMINOPHENANTHRENE | A | 1EGY | 0.72 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.73 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.73 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.73 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.73 | |
PXY | PARA-XYLENE | A | 187L | 0.7 | |
PXY | PARA-XYLENE | A | 225L | 0.7 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.73 | |
OXE | ORTHO-XYLENE | A | 188L | 0.73 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.72 | |
ANC | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.72 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.84 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.73 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.7 | |
NPY | NAPHTHALENE | A,B | 1O7G | 0.72 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.74 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.74 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.7 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.7 | |
BDB | A,B | 1KE3 | 0.72 | ||
FPR | PROPYLBENZENE | C | 1RHK | 0.7 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.74 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.73 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.73 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.73 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.73 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.71 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.7 | |
TPA | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.71 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.71 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.8 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.71 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.71 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.75 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.73 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.73 | |
ABN | BENZYLAMINE | A | 1UTN | 0.73 | |
ABN | BENZYLAMINE | A | 1N6X | 0.73 | |
ABN | BENZYLAMINE | A | 2BZA | 0.73 | |
ABN | BENZYLAMINE | A | 2EUS | 0.73 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.73 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.73 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.73 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.73 | |
AN3 | ANTHRACENE | A,B | 2HMN | 0.73 | |
AN3 | ANTHRACENE | A,B | 2HMM | 0.73 | |
L18 | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.74 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.71 | |
007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.72 | |
DPK | DEPRENYL | A,B | 2BYB | 0.74 | |
PEY | PHENANTHRENE | A,B | 2HML | 0.73 | |
PEY | PHENANTHRENE | A,B | 2HMK | 0.73 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.83 | |
BHY | N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide | A,B | 3BBR | 0.73 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.71 | |
RMA | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.71 | |
PYL | PHENYLETHANE | C | 1B07 | 0.7 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.7 | |
PYL | PHENYLETHANE | A | 1NHB | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.71 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.7 | |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.84 |