Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03304825
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 |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.73 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.7 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.7 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.75 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.71 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.73 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.71 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.71 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.74 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.86 | |
A8B | A | 1ODC | 0.83 | ||
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.71 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.75 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.75 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.71 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.7 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.77 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.73 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.75 | |
34T | (3R)-8-(dioxidosulfanyl)-3-methyl- 1,2,3,4-tetrahydroquinoline | H | 1ETR | 0.78 | |
1C2 | 3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER | A | 2F6T | 0.71 |