Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03027579
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 |
3BT | 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1Y | 0.76 | |
MBN | TOLUENE | A,B | 3D7O | 0.7 | |
MBN | TOLUENE | A,B | 1R1X | 0.7 | |
MBN | TOLUENE | A,B | 1JLX | 0.7 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.7 | |
MBN | TOLUENE | A,B | 2VRL | 0.7 | |
MBN | TOLUENE | A,I | 2Z3E | 0.7 | |
MBN | TOLUENE | A,B | 1YZI | 0.7 | |
MBN | TOLUENE | A,B | 2DN1 | 0.7 | |
MBN | TOLUENE | A,B | 3EN1 | 0.7 | |
4BT | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1X | 0.76 | |
BCS | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.81 | |
BCS | BENZYLCYSTEINE | A | 1EH8 | 0.81 | |
PBB | S-(4-BROMOBENZYL)CYSTEINE | A,B,C,D | 1AQV | 0.73 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.75 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.75 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.75 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.75 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.75 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.71 | |
DPK | DEPRENYL | A,B | 2BYB | 0.73 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.72 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.72 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.72 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.72 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.71 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.71 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2OUA | 0.7 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B,C,D | 2AJC | 0.7 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 3PRO | 0.7 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2PFE | 0.7 | |
HZH | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one | A,B | 3DEA | 0.72 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.74 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.74 | |
ABN | BENZYLAMINE | A | 1UTN | 0.74 | |
ABN | BENZYLAMINE | A | 1N6X | 0.74 | |
ABN | BENZYLAMINE | A | 2BZA | 0.74 | |
ABN | BENZYLAMINE | A | 2EUS | 0.74 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.74 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.74 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.83 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.83 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.82 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.82 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.82 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.82 | |
007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.73 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.72 | |
HPQ | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.71 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.71 | |
IBZ | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.71 |