Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03228377
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 |
ONP | O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Y | 0.73 | |
NPB | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.73 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.73 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.73 | |
NIN | DINITROPHENYLENE | A | 1RSM | 0.73 | |
NIN | DINITROPHENYLENE | A | 1GVY | 0.73 | |
NIN | DINITROPHENYLENE | A | 1GW1 | 0.73 | |
DAQ | O,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D1B | 0.72 | |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.75 | |
MNQ | M-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0X | 0.74 | |
T2D | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.74 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.8 | |
NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.8 | |
NIT | 4-NITROANILINE | B | 1VBS | 0.8 | |
NIT | 4-NITROANILINE | C | 1V9T | 0.8 | |
NIT | 4-NITROANILINE | C,D | 1VBT | 0.8 | |
NIT | 4-NITROANILINE | B | 1LOP | 0.8 | |
NIT | 4-NITROANILINE | C,D | 1ZKF | 0.8 | |
NIT | 4-NITROANILINE | B | 1PIP | 0.8 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.73 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.73 | |
NBZ | NITROBENZENE | A,B | 2BMQ | 0.75 | |
NBZ | NITROBENZENE | A,B | 3BGU | 0.75 | |
CF3 | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.8 | |
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 | |
HFT | HYDROXYFLUTAMIDE | A | 2AX6 | 0.81 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.81 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.81 | |
EOB | {1,3-PHENYLENEBIS[IMINO(2-OXOETHANE- 2,1-DIYL)]}BIS(PHOSPHONIC ACID) | A,B,C,D | 2FZG | 0.75 | |
PND | P-NITROPHENYLHYDRAZINE | A,G | 1JMZ | 0.75 | |
DAE | O,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE- BERYLLIUM TRIFLUORIDE | A | 1D1A | 0.72 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.72 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.79 | |
PNQ | P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Z | 0.77 | |
01W | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate | A,B | 3DS9 | 0.72 | |
BHM | (R)-3-BROMO-2-HYDROXY-2-METHYL- N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX9 | 0.78 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.71 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.81 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.81 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.81 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.81 |