Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02841556
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 |
PNE | PARA-NITROPHENYL PHOSPHONOBUTANOYL L- ALANINE | L | 1KN2 | 0.71 | |
CSN | N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM | P | 1E2S | 0.73 | |
CSN | N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM | A | 1PA9 | 0.73 | |
HPF | 1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATE | A,B | 1TJP | 0.71 | |
LI7 | (3E)-3-[(4-HYDROXYPHENYL)IMINO]- 1H-INDOL-2(3H)-ONE | A | 1YXX | 0.72 | |
2AF | 2-AMINOPHENOL | A | 1L4N | 0.76 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYM | 0.94 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYL | 0.94 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2OCU | 0.94 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A,B,C,D,F | 3DJI | 0.94 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2DPZ | 0.94 | |
3GV | (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine- 3-carboxylic acid | A,B | 3GVB | 0.76 | |
NCH | P-NITROPHENYL-PHOSPHOCHOLINE | L | 1DL7 | 0.72 | |
LJ5 | N-(3,5-dibromo-4-hydroxyphenyl)benzamide | A,B | 3CN4 | 0.71 | |
A48 | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.75 | |
4NC | 4-NITROCATECHOL | A | 1NO3 | 0.75 | |
4NC | 4-NITROCATECHOL | B | 2BUU | 0.75 | |
4NC | 4-NITROCATECHOL | B | 2BUZ | 0.75 | |
4NC | 4-NITROCATECHOL | B | 1EOC | 0.75 | |
PNF | 6-{4-[HYDROXY-(4-NITRO-PHENOXY)- PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID | L | 1YEJ | 0.71 | |
FEN | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | A | 1FEL | 0.81 | |
HBO | 2,4-DIHYDROXY-7-(METHYLOXY)-2H- 1,4-BENZOXAZIN-3(4H)-ONE | A,B | 1E56 | 0.7 | |
HBO | 2,4-DIHYDROXY-7-(METHYLOXY)-2H- 1,4-BENZOXAZIN-3(4H)-ONE | A,B | 1H49 | 0.7 | |
HBO | 2,4-DIHYDROXY-7-(METHYLOXY)-2H- 1,4-BENZOXAZIN-3(4H)-ONE | A,B | 1E4N | 0.7 | |
DNF | 2,4-DINITROPHENOL | A,B | 2B16 | 0.76 | |
DNF | 2,4-DINITROPHENOL | H,J,L,N | 1OAU | 0.76 | |
DNF | 2,4-DINITROPHENOL | A | 1GVO | 0.76 | |
DNF | 2,4-DINITROPHENOL | A,B | 2B15 | 0.76 | |
DNF | 2,4-DINITROPHENOL | A,B | 2B14 | 0.76 | |
N4E | N-(4-ethoxyphenyl)acetamide | A,B,C,D | 3EBS | 0.8 | |
LI6 | 3,4-DIHYDROXY-1-METHYLQUINOLIN- 2(1H)-ONE | A | 1YXV | 0.72 | |
NCR | 2-NITRO-P-CRESOL | A,B | 1AHV | 0.72 | |
DMC | 3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID | G | 4GCH | 0.74 | |
ANX | 2,5-DINITROPHENOL | A,B,C,D,E,F, G,H | 2BFG | 0.72 | |
PDE | PARA-NITROPHENYL PHOSPHONOBUTANOYL D- ALANINE | L | 1KN4 | 0.71 | |
TCC | 2-(2,4-DICHLORO-PHENYLAMINO)-PHENOL | A,B | 1NHW | 0.71 | |
4NL | 4-AMINOPHENOL | A | 2ORL | 0.8 | |
4NS | 4-nitrophenyl sulfate | X | 2ZYU | 0.75 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.71 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.71 | |
NPO | P-NITROPHENOL | A,B | 1Z44 | 0.82 | |
NPO | P-NITROPHENOL | X | 2ZYW | 0.82 | |
NPO | P-NITROPHENOL | H,L | 1YEK | 0.82 | |
NPO | P-NITROPHENOL | A,C,E,G | 43CA | 0.82 | |
NPO | P-NITROPHENOL | A | 1LS6 | 0.82 | |
NPO | P-NITROPHENOL | X | 2ZVP | 0.82 | |
NPO | P-NITROPHENOL | A,B | 2I10 | 0.82 | |
NPO | P-NITROPHENOL | A | 1VAH | 0.82 | |
NPO | P-NITROPHENOL | A,B | 3ETT | 0.82 | |
NPO | P-NITROPHENOL | A,B | 2D20 | 0.82 | |
NPO | P-NITROPHENOL | X | 2ZYV | 0.82 | |
4NP | 4-NITROPHENYL PHOSPHATE | A,B | 1D1Q | 0.74 | |
4NP | 4-NITROPHENYL PHOSPHATE | A,B | 1VE7 | 0.74 | |
4NP | 4-NITROPHENYL PHOSPHATE | A | 2I6P | 0.74 | |
EDR | EDROPHONIUM ION | A | 1AX9 | 0.82 | |
EDR | EDROPHONIUM ION | A | 2ACK | 0.82 | |
OPB | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A | 1Q7A | 0.8 | |
OPB | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A,B | 2BXB | 0.8 | |
OPB | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE | A | 2BXO | 0.8 | |
B4N | bis(4-nitrophenyl) hydrogen phosphate | A | 3DH8 | 0.73 | |
451 | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin- 2-yl)acetamide | A | 3FYX | 0.7 | |
PGG | PARA-NITROPHENYLPHOSPHONOBUTANOYL- GLYCINE | L | 1YEI | 0.7 | |
NPE | 5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID | H | 1GAF | 0.74 | |
NPE | 5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID | H | 1AJ7 | 0.74 | |
TNF | PICRIC ACID | A | 1GVS | 0.73 | |
TNF | PICRIC ACID | X | 1VYP | 0.73 | |
TNF | PICRIC ACID | A | 1VYR | 0.73 | |
TNF | PICRIC ACID | X | 1VYS | 0.73 | |
2AC | 2-AMINO-P-CRESOL | H,I | 1A2C | 0.72 | |
2AC | 2-AMINO-P-CRESOL | A | 1L4M | 0.72 | |
EPN | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL | A | 2SAM | 0.72 | |
PNP | METHYL-PHOSPHONIC ACID MONO-(4- NITRO-PHENYL) ESTER | A,B,D,F | 1KNO | 0.75 | |
PNP | METHYL-PHOSPHONIC ACID MONO-(4- NITRO-PHENYL) ESTER | A | 1ZED | 0.75 |