Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00077251
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 |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2OUA | 0.71 |  |
| 2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B,C,D | 2AJC | 0.71 | |
| 2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 3PRO | 0.71 | |
| 2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2PFE | 0.71 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.72 | |
| FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.72 | |
| FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.72 | |
| FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.72 | |
CPU | A,B | 1CR6 | 0.73 | | |
4FP | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.79 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.72 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.77 | |
BHY | N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide | A,B | 3BBR | 0.79 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.74 | |
| B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.74 | |
| B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.74 | |
| B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.74 | |
| B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.74 | |
F21 | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2G72 | 0.71 | |
| F21 | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2OPB | 0.71 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.71 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.73 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.7 | |
| BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.7 | |
| BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.7 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.72 | |
APE | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.7 | |
DPK | DEPRENYL | A,B | 2BYB | 0.74 | |
DP4 | TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE- N-OXIDE | A,B,C,D,E,F, G,H | 1ND0 | 0.7 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.73 | |
F1K | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine- 2-carboxamide | A,B,C | 2ZJK | 0.71 | |
F1J | (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine- 2-carboxamide | A | 2ZJJ | 0.71 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.75 | |
| AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.75 | |
| AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.75 | |
| AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.75 | |