Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00434850
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 |
DEQ![]() | DEQUALINIUM | A,B,D,E | 1JT6 | 0.76 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR2 | 0.76 | ![]() |
DEQ![]() | DEQUALINIUM | A | 1OYD | 0.76 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BT9 | 0.76 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BTJ | 0.76 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR1 | 0.76 | ![]() |
A8N![]() | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.79 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.8 | ![]() |
5IQ![]() | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.76 | ![]() |
2MI![]() | 2-METHYL-1H-INDOLE | A | 2PIO | 0.72 | ![]() |
9CA![]() | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.7 | ![]() |
A2E![]() | (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLAMINO)DECYL]AMINO}-5,6,7,8- TETRAHYDROQUINOLIN-2(1H)-ONE | A,B | 1ZGC | 0.71 | ![]() |
BMO![]() | N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9- YLAMINO)PROPYL]PROPANE-1,3-DIAMINE | A | 2GJB | 0.75 | ![]() |
9AC![]() | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.71 | ![]() |
2PT![]() | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.77 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.71 | ![]() |
DCU![]() | A,B | 1J07 | 0.75 | ![]() | |
AA7![]() | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLHEPTANE-1,7-DIAMINE | A | 2CKM | 0.76 | ![]() |
23M![]() | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.73 | ![]() |
2AQ![]() | QUINOLIN-2-AMINE | A | 2OHL | 0.79 | ![]() |
A1E![]() | (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLAMINO)DECYL]AMINO}-5,6,7,8- TETRAHYDROQUINOLIN-2(1H)-ONE | A | 1ZGB | 0.71 | ![]() |
AS3![]() | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.72 | ![]() |
CLQ![]() | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.72 | ![]() |
D23![]() | 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)- 2-(TRIFLUOROMETHYL)QUINAZOLIN-4- AMINE | A | 2B53 | 0.71 | ![]() |
1SQ![]() | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.7 | ![]() |