Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03399587
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 |
10A | DIDECYL-DIMETHYL-AMMONIUM | A,B,C,D | 1KPH | 0.9 | |
10A | DIDECYL-DIMETHYL-AMMONIUM | A | 1KPI | 0.9 | |
DRE | N-(6-AMINOHEXYL)HEXANE-1,6-DIAMINE | A,B | 1Z6L | 0.72 | |
DDQ | DECYLAMINE-N,N-DIMETHYL-N-OXIDE | A,B,C,D,E,F | 1GVM | 0.75 | |
DDQ | DECYLAMINE-N,N-DIMETHYL-N-OXIDE | A | 2PRL | 0.75 | |
DDQ | DECYLAMINE-N,N-DIMETHYL-N-OXIDE | A | 1D3G | 0.75 | |
DDQ | DECYLAMINE-N,N-DIMETHYL-N-OXIDE | A,B,C,D | 2F6M | 0.75 | |
DDQ | DECYLAMINE-N,N-DIMETHYL-N-OXIDE | A | 1QFF | 0.75 | |
DDQ | DECYLAMINE-N,N-DIMETHYL-N-OXIDE | X | 1W52 | 0.75 | |
DDQ | DECYLAMINE-N,N-DIMETHYL-N-OXIDE | A | 1FI1 | 0.75 | |
DDQ | DECYLAMINE-N,N-DIMETHYL-N-OXIDE | A,B | 1HCX | 0.75 | |
DDQ | DECYLAMINE-N,N-DIMETHYL-N-OXIDE | A | 2PRH | 0.75 | |
DDQ | DECYLAMINE-N,N-DIMETHYL-N-OXIDE | A | 1QFG | 0.75 | |
DIP | DIPENTYLAMINE | C,D | 1A1B | 0.74 | |
DIP | DIPENTYLAMINE | C,D | 1A07 | 0.74 | |
DIP | DIPENTYLAMINE | C,D | 1A1A | 0.74 | |
DIP | DIPENTYLAMINE | C,D | 1A08 | 0.74 | |
DIP | DIPENTYLAMINE | C,D | 1A09 | 0.74 | |
16A | CETYL-TRIMETHYL-AMMONIUM | A | 3HF0 | 0.86 | |
16A | CETYL-TRIMETHYL-AMMONIUM | A,B,C,D | 1KPG | 0.86 | |
16A | CETYL-TRIMETHYL-AMMONIUM | A | 1TPY | 0.86 | |
TBA | TETRABUTYLAMMONIUM ION | I,L | 2BOB | 0.85 | |
TBA | TETRABUTYLAMMONIUM ION | A,C | 2DWD | 0.85 | |
TBA | TETRABUTYLAMMONIUM ION | A,C | 2HVJ | 0.85 | |
TBA | TETRABUTYLAMMONIUM ION | C | 2DWE | 0.85 | |
TBA | TETRABUTYLAMMONIUM ION | A,B | 1J95 | 0.85 | |
TBA | TETRABUTYLAMMONIUM ION | A,C | 2HVK | 0.85 | |
TBA | TETRABUTYLAMMONIUM ION | A | 1JVM | 0.85 | |
TBA | TETRABUTYLAMMONIUM ION | C | 2HJF | 0.85 | |
DR0 | N-(HYDROXYMETHYL)-N,N-DIMETHYLHEXAN- 1-AMINIUM | A | 2ASC | 0.75 | |
DME | DECAMETHONIUM ION | A,B,C,D | 1MAA | 0.83 | |
DME | DECAMETHONIUM ION | A | 1ACL | 0.83 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2HG3 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | L,M,R,S | 1S00 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A | 3C1H | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2GNU | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B | 2R4P | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 1RGN | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C,H,L,M | 1R2C | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 3DU3 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2BOZ | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 1K6L | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B | 1T16 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 1FNP | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B | 2R4O | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2UWU | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2HG9 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2JIY | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B,C | 2R4L | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B | 1GZM | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 3DSY | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2J8C | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A | 1F7S | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B | 3DWN | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2GMR | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C,H,L,M,U | 1DXR | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | L,M | 1MPS | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2UXL | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 1RZH | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B,C,D | 3DWK | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C,H,L,M | 2JBL | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C,H,L,M | 6PRC | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B | 3HB3 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2UWT | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 1UMX | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 1RG5 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B,C | 2F1T | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B | 1AR1 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C,H,L,M | 7PRC | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B | 2IWW | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2J8D | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C,H,L,M | 1VRN | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A | 1YIV | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B | 2R4N | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B,D | 3EHB | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 3DTR | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B | 1C8U | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M,R,S,T | 1DS8 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B | 1T1L | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A | 1THQ | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 1FNQ | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2UXJ | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B,C,D | 3BEH | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A | 1KMO | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C,H,L,M | 1L9B | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A | 2Z76 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2HJ6 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | L,M | 1PCR | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C,H,L,M | 2I5N | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 3DTA | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C | 1E14 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A | 1SQC | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2UX5 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 3DTS | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 1K6N | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A | 3C1I | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | L,M | 1YF6 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B,C | 2GVM | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C,H,L,M | 1PRC | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2UX3 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | L,M,R,S | 1RZZ | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 3DUQ | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M,R,S,T | 1DV6 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C,H,L,M | 3PRC | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2UWW | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2UWV | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 1RQK | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A | 1XKW | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C,H,L,M | 2PRC | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2UX4 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | L,M,R,S | 1AIJ | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2HHK | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 1F6N | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C,H,L,M | 5PRC | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A | 1KMP | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B,C,D | 2IWV | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B,C,D,E,F, G,H,I,L | 1OJD | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2HIT | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M,R,S,T | 1DV3 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A | 2HDI | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B | 2IRV | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,R,S | 2FKW | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 3DU2 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C,D,L,M,R,S | 1L9J | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A | 3C9L | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | L,M,X | 2UXM | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C | 1E6D | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 1RVJ | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A | 2I2Q | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 1RY5 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A,B | 2VQI | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C,H,L,M | 1EYS | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2UWS | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2HH1 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | H,L,M | 2UXK | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | C,H,L,M | 3D38 | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A | 1UJW | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | A | 2GSK | 0.75 | |
LDA | LAURYL DIMETHYLAMINE-N-OXIDE | P | 1SKN | 0.75 | |
DET | UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE | A,B,D,E,G,H, J,K | 1LGH | 0.75 | |
NET | TETRAETHYLAMMONIUM ION | A,B,C,D,E,F, G,H | 1CE8 | 0.73 | |
NET | TETRAETHYLAMMONIUM ION | B,C,E,F,H,I, K,L | 1JDB | 0.73 | |
NET | TETRAETHYLAMMONIUM ION | A,B,C,D,E,G,H | 1BXR | 0.73 | |
NET | TETRAETHYLAMMONIUM ION | A,B,C,D,E,F, G,H | 1KEE | 0.73 | |
NET | TETRAETHYLAMMONIUM ION | A,B,C,D,E,F, G,H | 1C30 | 0.73 | |
NET | TETRAETHYLAMMONIUM ION | A,B,C,D,E,F, G,H | 1T36 | 0.73 | |
NET | TETRAETHYLAMMONIUM ION | A,B,C,D,E,F, G,H | 1C3O | 0.73 | |
NET | TETRAETHYLAMMONIUM ION | A,B,C,D,E,F, G,H | 1A9X | 0.73 | |
NET | TETRAETHYLAMMONIUM ION | A,B,C,D,E,F, G,H | 1CS0 | 0.73 | |
NET | TETRAETHYLAMMONIUM ION | A,B,C,D,E,F, G,H | 1M6V | 0.73 | |
CAT | DODECANE-TRIMETHYLAMINE | A,B | 2SHP | 0.89 |