Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03502687
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 |
T29![]() | TRI166 (BIFUNCTIONAL BORONATE INHIBITOR) | H | 1A3B | 0.74 | ![]() |
4BT![]() | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1X | 0.81 | ![]() |
3BT![]() | 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1Y | 0.81 | ![]() |
DMX![]() | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.72 | ![]() |
CPU![]() | A,B | 1CR6 | 0.7 | ![]() | |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.7 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.7 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.7 | ![]() |
BTM![]() | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.73 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.74 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.74 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTO | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTM | 0.72 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.75 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.75 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.75 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.75 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.7 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.7 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.7 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.7 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.75 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.75 | ![]() |
TFM![]() | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.71 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.72 | ![]() |
DPK![]() | DEPRENYL | A,B | 2BYB | 0.78 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.7 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.7 | ![]() |
L18![]() | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.72 | ![]() |
817![]() | 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}- 3-TRIFLUOROMETHYL-BENZENE | A | 2ANO | 0.75 | ![]() |
PTF![]() | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.71 | ![]() |
C1A![]() | 1,4-BIS-{[N-(1-IMINO-1GUANIDINO- METHYL)]SULFANYLMETHYL}-3,6-DIMETHYL- BENZENE | A | 2ANQ | 0.76 | ![]() |