Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03220096
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 |
CF3 | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.74 | |
PDM | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | A,B,C | 1L2O | 0.7 | |
PDM | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | A,C | 1KWO | 0.7 | |
NR2 | N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)- 4-METHYLBENZENESULFONAMIDE | A | 1ZFK | 0.71 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.72 | |
T2D | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.72 | |
PH3 | N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE | A,B | 1DM6 | 0.74 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.8 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.73 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.77 | |
427 | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENYL)GUANIDINE | A | 1ZMN | 0.78 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.72 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.76 | |
4ND | N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE | H,I | 1NO9 | 0.73 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.72 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.75 | |
EOB | {1,3-PHENYLENEBIS[IMINO(2-OXOETHANE- 2,1-DIYL)]}BIS(PHOSPHONIC ACID) | A,B,C,D | 2FZG | 0.74 | |
NIT | 4-NITROANILINE | C,D | 1RMH | 0.7 | |
NIT | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.7 | |
NIT | 4-NITROANILINE | B | 1VBS | 0.7 | |
NIT | 4-NITROANILINE | C | 1V9T | 0.7 | |
NIT | 4-NITROANILINE | C,D | 1VBT | 0.7 | |
NIT | 4-NITROANILINE | B | 1LOP | 0.7 | |
NIT | 4-NITROANILINE | C,D | 1ZKF | 0.7 | |
NIT | 4-NITROANILINE | B | 1PIP | 0.7 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.8 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.8 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.8 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.8 | |
CBE | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4- OXATHIINE-3-CARBOXAMIDE | A,B,C,D,N,O, P,Q | 2FBW | 0.74 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.84 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.72 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.86 | |
BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.86 | |
566 | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.7 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.8 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.8 | |
URS | N-PHENYLTHIOUREA | A,B | 1BUG | 0.8 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.8 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.8 |