Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01267020
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 |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.75 | ![]() |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.72 | ![]() |
34A![]() | 3,4-DIMETHYLANILINE | A | 1L4K | 0.73 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.73 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.75 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1RFN | 0.75 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.75 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.75 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIZ | 0.75 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIW | 0.75 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.75 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.78 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.78 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.77 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.77 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.77 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.74 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.74 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.74 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.74 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.74 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.74 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.74 | ![]() |
150![]() | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.71 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.74 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A | 1BMA | 0.76 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.76 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.76 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.76 | ![]() |
TPM![]() | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.87 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.72 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.72 | ![]() |