Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00555090
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 |
01W | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate | A,B | 3DS9 | 0.8 |  |
XY2 | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2CL7 | 0.7 | |
| XY2 | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2CL6 | 0.7 | |
| XY2 | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2CE2 | 0.7 | |
| XY2 | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2EVW | 0.7 | |
| XY2 | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2CL0 | 0.7 | |
| XY2 | N,N'-DIMETHYL-N-(ACETYL)-N'-(7- NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE | X | 2CLC | 0.7 | |
665 | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | A | 2H7L | 0.71 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.78 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.72 | |
PDM | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | A,B,C | 1L2O | 0.73 | |
| PDM | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | A,C | 1KWO | 0.73 | |
GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAD | 0.71 | |
| GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D,E,F | 1GTI | 0.71 | |
| GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAC | 0.71 | |
| GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 1GLQ | 0.71 | |
| GTB | S-(P-NITROBENZYL)GLUTATHIONE | B,D | 2QMC | 0.71 | |
| GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2VO4 | 0.71 | |
| GTB | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D | 1K0C | 0.71 | |
BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1RXH | 0.78 | |
| BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1I9H | 0.78 | |
| BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 2FHL | 0.78 | |
| BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1RXK | 0.78 | |
| BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 2OFB | 0.78 | |
| BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1IJ8 | 0.78 | |
| BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 2OF8 | 0.78 | |
| BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B,C,D | 1RXJ | 0.78 | |
| BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | X,Y | 2FHN | 0.78 | |
SG1 | 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)- BENZENESULFONAMIDE | A | 1KWQ | 0.77 | |
BL5 | A,B | 1RL4 | 0.72 | | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.71 | |
| IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.71 | |
NPP | N-(2-AMINO-ETHYL)-4,6-DINITRO-N'- (2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN- 4-YL)-BENZENE-1,3-DIAMINE | L | 1BAF | 0.7 | |
GA0 | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.74 | |
T2D | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.79 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.79 | |
RA4 | N-(4-NITROBENZOYL)-L-LEUCYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BUTYL)- L-PROLINAMIDE | H,I | 1YPM | 0.74 | |
MLN | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL- P-NITROANILIDE | A | 1BSK | 0.76 | |
| MLN | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL- P-NITROANILIDE | A | 1BSJ | 0.76 | |
ONP | O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Y | 0.71 | |
566 | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.77 | |
DAE | O,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE- BERYLLIUM TRIFLUORIDE | A | 1D1A | 0.7 | |
DAQ | O,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D1B | 0.71 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.76 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.76 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.76 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.76 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.79 | |
GIP | S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE | A,B | 1QIN | 0.72 | |
PNQ | P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Z | 0.72 | |
GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 5GST | 0.7 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A | 1HNA | 0.7 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 1VF3 | 0.7 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B,C,D | 1HNC | 0.7 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B,C | 1XWK | 0.7 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 18GS | 0.7 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A | 1GSQ | 0.7 | |
| GDN | GLUTATHIONE S-(2,4 DINITROBENZENE) | A,B | 1HNB | 0.7 | |