Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03235056
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 |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.74 |  |
SG1 | 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)- BENZENESULFONAMIDE | A | 1KWQ | 0.71 | |
HFT | HYDROXYFLUTAMIDE | A | 2AX6 | 0.78 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.73 | |
BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1RXH | 0.73 | |
| BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1I9H | 0.73 | |
| BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 2FHL | 0.73 | |
| BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1RXK | 0.73 | |
| BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 2OFB | 0.73 | |
| BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 1IJ8 | 0.73 | |
| BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B | 2OF8 | 0.73 | |
| BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | A,B,C,D | 1RXJ | 0.73 | |
| BNI | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL- 6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)- AMIDE | X,Y | 2FHN | 0.73 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.89 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.89 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.89 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.89 | |
MLN | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL- P-NITROANILIDE | A | 1BSK | 0.74 | |
| MLN | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL- P-NITROANILIDE | A | 1BSJ | 0.74 | |
CBE | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4- OXATHIINE-3-CARBOXAMIDE | A,B,C,D,N,O, P,Q | 2FBW | 0.71 | |
T2D | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.73 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.74 | |
GW9 | 2-chloro-5-nitro-N-phenylbenzamide | A,D | 3E00 | 0.74 | |
GNR | 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN- 2-YL)-N-HYDROXYACETAMIDE | A,B | 1S17 | 0.72 | |
TSN | TRICHOSTATIN A | A,B | 1T64 | 0.71 | |
| TSN | TRICHOSTATIN A | A,B | 1C3R | 0.71 | |
| TSN | TRICHOSTATIN A | A,B,C | 3F0R | 0.71 | |
| TSN | TRICHOSTATIN A | A,B,C | 3C10 | 0.71 | |
01W | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate | A,B | 3DS9 | 0.75 | |
P1Z | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A,B | 2W98 | 0.74 | |
| P1Z | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A,B | 2BXC | 0.74 | |
| P1Z | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A | 2BXP | 0.74 | |
| P1Z | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A | 2BXQ | 0.74 | |
PNQ | P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Z | 0.73 | |
TNS | A,B,L | 2G2R | 0.7 | | |
EOB | {1,3-PHENYLENEBIS[IMINO(2-OXOETHANE- 2,1-DIYL)]}BIS(PHOSPHONIC ACID) | A,B,C,D | 2FZG | 0.74 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.73 | |
NIN | DINITROPHENYLENE | A | 1RSM | 0.71 | |
| NIN | DINITROPHENYLENE | A | 1GVY | 0.71 | |
| NIN | DINITROPHENYLENE | A | 1GW1 | 0.71 | |
MNQ | M-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0X | 0.71 | |
566 | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.74 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.76 | |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.71 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.78 | |
| NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.78 | |
| NIT | 4-NITROANILINE | B | 1VBS | 0.78 | |
| NIT | 4-NITROANILINE | C | 1V9T | 0.78 | |
| NIT | 4-NITROANILINE | C,D | 1VBT | 0.78 | |
| NIT | 4-NITROANILINE | B | 1LOP | 0.78 | |
| NIT | 4-NITROANILINE | C,D | 1ZKF | 0.78 | |
| NIT | 4-NITROANILINE | B | 1PIP | 0.78 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.74 | |
| BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.74 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.78 | |
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 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.81 | |
| IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.81 | |
BHM | (R)-3-BROMO-2-HYDROXY-2-METHYL- N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX9 | 0.75 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.73 | |
| NBZ | NITROBENZENE | A,B | 3BGU | 0.73 | |
TYX | S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE | A | 2PQT | 0.7 | |
PND | P-NITROPHENYLHYDRAZINE | A,G | 1JMZ | 0.73 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.79 | |
CF3 | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.81 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.72 | |
NPB | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.71 | |