Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00592573
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 |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.79 | |
AGB | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA | A | 1EJN | 0.71 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.74 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.74 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.7 | |
ZAT | 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE) | A | 2W0J | 0.74 | |
T2D | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.72 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.73 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.73 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.73 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.73 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.73 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.8 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.71 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.7 | |
GP6 | 1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA | A | 1BJU | 0.73 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.71 | |
427 | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENYL)GUANIDINE | A | 1ZMN | 0.7 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.71 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.71 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.94 | |
BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.94 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.89 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.89 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.79 | |
EOB | {1,3-PHENYLENEBIS[IMINO(2-OXOETHANE- 2,1-DIYL)]}BIS(PHOSPHONIC ACID) | A,B,C,D | 2FZG | 0.71 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.71 | |
MGR | MALACHITE GREEN | A | 1Q8N | 0.71 | |
MGR | MALACHITE GREEN | A,B | 3BR0 | 0.71 | |
MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.71 | |
MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.71 | |
MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.71 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.79 | |
4ND | N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE | H,I | 1NO9 | 0.79 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.71 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.71 | |
566 | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.75 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.76 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.76 | |
PH3 | N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE | A,B | 1DM6 | 0.71 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.72 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.81 | |
URS | N-PHENYLTHIOUREA | A,B | 1BUG | 0.8 | |
NR2 | N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)- 4-METHYLBENZENESULFONAMIDE | A | 1ZFK | 0.74 | |
CF3 | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.71 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.76 |