Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03349097
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 |
267![]() | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.76 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.73 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.73 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.73 | ![]() |
BTM![]() | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.77 | ![]() |
RMA![]() | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.7 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.71 | ![]() |
1PC![]() | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.78 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.73 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.73 | ![]() |
B2Y![]() | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.78 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.71 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.71 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.71 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.71 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.71 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.71 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.71 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.71 | ![]() |
CGQ![]() | 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)- HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]- IMINOMETHYL]-BENZAMIDINIUM | A,B,D,E | 2G0E | 0.73 | ![]() |
CGQ![]() | 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)- HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]- IMINOMETHYL]-BENZAMIDINIUM | A,B | 1M6F | 0.73 | ![]() |
745![]() | TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE- 2-CARBOXAMIDINE | A | 1U6Q | 0.7 | ![]() |
DPK![]() | DEPRENYL | A,B | 2BYB | 0.75 | ![]() |
L18![]() | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.75 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.73 | ![]() |
N5T![]() | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.71 | ![]() |
263![]() | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.76 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.7 | ![]() |
ABN![]() | BENZYLAMINE | D,H | 2HXC | 0.7 | ![]() |
ABN![]() | BENZYLAMINE | A,I | 1A86 | 0.7 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTN | 0.7 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6X | 0.7 | ![]() |
ABN![]() | BENZYLAMINE | A | 2BZA | 0.7 | ![]() |
ABN![]() | BENZYLAMINE | A | 2EUS | 0.7 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6Y | 0.7 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTJ | 0.7 | ![]() |
BHY![]() | N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide | A,B | 3BBR | 0.7 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.71 | ![]() |