Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00292399
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 |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.8 |  |
| BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.8 | |
PHZ | 1-PHENYLHYDRAZINE | A | 2E2T | 0.72 | |
| PHZ | 1-PHENYLHYDRAZINE | D,H | 2AGL | 0.72 | |
URS | N-PHENYLTHIOUREA | A,B | 1BUG | 0.77 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.7 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.77 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.81 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.71 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.77 | |
| DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.77 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.76 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.81 | |
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 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.74 | |
566 | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.71 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.75 | |
| IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.75 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.73 | |
| CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.73 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.76 | |
4ND | N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE | H,I | 1NO9 | 0.75 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.73 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.74 | |
| MGR | MALACHITE GREEN | A | 1Q8N | 0.74 | |
| MGR | MALACHITE GREEN | A,B | 3BR0 | 0.74 | |
| MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.74 | |
| MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.74 | |
| MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.74 | |
T2D | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.71 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.74 | |
ANL | ANILINE | A | 2OV4 | 0.76 | |
| ANL | ANILINE | A | 1AEE | 0.76 | |
| ANL | ANILINE | A | 1PPA | 0.76 | |
| ANL | ANILINE | A | 1HJ9 | 0.76 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.74 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.79 | |
5AN | 3,5-DIFLUOROANILINE | A | 1LGX | 0.71 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.7 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.75 | |