Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01243595
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 | 0.76 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B,C,D | 2AJC | 0.76 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 3PRO | 0.76 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2PFE | 0.76 | ![]() |
TLD![]() | 4-methylbenzene-1,2-dithiol | A | 2Z94 | 0.74 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.76 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.76 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.75 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.75 | ![]() |
SEH![]() | S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE | M | 1W9D | 0.7 | ![]() |
AM4![]() | 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE | A | 1TX8 | 0.71 | ![]() |
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 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.71 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.71 | ![]() |
BCS![]() | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.75 | ![]() |
BCS![]() | BENZYLCYSTEINE | A | 1EH8 | 0.75 | ![]() |
PTF![]() | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.8 | ![]() |
HZH![]() | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one | A,B | 3DEA | 0.7 | ![]() |
4BT![]() | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1X | 0.72 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.77 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.77 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.76 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.76 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.76 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.76 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.77 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.77 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.78 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.78 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.78 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.78 | ![]() |
3BT![]() | 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1Y | 0.72 | ![]() |
NBB![]() | N-BUTYL-BENZENESULFONAMIDE | A,B | 3D73 | 0.72 | ![]() |
NBB![]() | N-BUTYL-BENZENESULFONAMIDE | A | 3D77 | 0.72 | ![]() |
NBB![]() | N-BUTYL-BENZENESULFONAMIDE | A,B | 3D78 | 0.72 | ![]() |
NBB![]() | N-BUTYL-BENZENESULFONAMIDE | A,B | 3CZ1 | 0.72 | ![]() |
NBB![]() | N-BUTYL-BENZENESULFONAMIDE | A | 3D75 | 0.72 | ![]() |
NBB![]() | N-BUTYL-BENZENESULFONAMIDE | A | 3D76 | 0.72 | ![]() |
NBB![]() | N-BUTYL-BENZENESULFONAMIDE | A | 3BJH | 0.72 | ![]() |
NBB![]() | N-BUTYL-BENZENESULFONAMIDE | A,B | 3D74 | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | D,H | 2HXC | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A,I | 1A86 | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTN | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6X | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 2BZA | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 2EUS | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6Y | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTJ | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.76 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.76 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.76 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTO | 0.76 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.76 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.76 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.76 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTM | 0.76 | ![]() |
ZYX![]() | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | A | 2NNG | 0.76 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.7 | ![]() |
TPA![]() | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.7 | ![]() |