Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00916711
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 |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.78 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.73 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.73 | |
AL5 | THIOPHENE-2,5-DISULFONIC ACID 2- AMIDE-5-(4-METHYL-BENZYLAMIDE) | A | 1BN1 | 0.83 | |
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 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.76 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.76 | |
ABN | BENZYLAMINE | A | 1UTN | 0.76 | |
ABN | BENZYLAMINE | A | 1N6X | 0.76 | |
ABN | BENZYLAMINE | A | 2BZA | 0.76 | |
ABN | BENZYLAMINE | A | 2EUS | 0.76 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.76 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.76 | |
SEH | S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE | M | 1W9D | 0.7 | |
ZYX | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | A | 2NNG | 0.78 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.74 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.73 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.73 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.73 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.73 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.73 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.77 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.77 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.77 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.77 | |
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 | |
BHY | N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide | A,B | 3BBR | 0.75 | |
PTS | (4S-TRANS)-4-(AMINO)-5,6-DIHYDRO- 6-METHYL-4H-THIENO (2,3-B)THIOPYRAN- 2-SULFONAMIDE-7,7-DIOXIDE | A | 1CIM | 0.73 | |
AM4 | 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE | A | 1TX8 | 0.75 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.72 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.71 | |
F21 | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2G72 | 0.7 | |
F21 | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2OPB | 0.7 | |
MTS | (4S-TRANS)-4-(METHYLAMINO)-5,6- DIHYDRO-6-METHYL-4H-THIENO(2,3- B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE | A | 1CIN | 0.7 | |
TPD | N-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDE | A | 1BNW | 0.73 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2OUA | 0.74 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B,C,D | 2AJC | 0.74 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 3PRO | 0.74 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2PFE | 0.74 |