Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02675028
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 |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.77 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.77 | |
NBE | NITROSOBENZENE | A | 1LH7 | 0.71 | |
NBE | NITROSOBENZENE | A | 2LH7 | 0.71 | |
NBE | NITROSOBENZENE | A | 2NSS | 0.71 | |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.72 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.7 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.72 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.82 | |
T2D | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.73 | |
CF3 | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.77 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.82 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.72 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.72 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.72 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.72 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.72 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.72 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.72 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.72 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.75 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.79 | |
BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.79 | |
EOB | {1,3-PHENYLENEBIS[IMINO(2-OXOETHANE- 2,1-DIYL)]}BIS(PHOSPHONIC ACID) | A,B,C,D | 2FZG | 0.71 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.86 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.72 | |
5AN | 3,5-DIFLUOROANILINE | A | 1LGX | 0.8 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.79 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.79 | |
URS | N-PHENYLTHIOUREA | A,B | 1BUG | 0.76 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.75 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.84 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.75 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.75 | |
ANL | ANILINE | A | 2OV4 | 0.76 | |
ANL | ANILINE | A | 1AEE | 0.76 | |
ANL | ANILINE | A | 1PPA | 0.76 | |
ANL | ANILINE | A | 1HJ9 | 0.76 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.72 | |
IDM | INDOLINE | A,B | 3CEP | 0.72 | |
IDM | INDOLINE | A | 1AEK | 0.72 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.8 |