Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01300142
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 |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.73 |  |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.7 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.71 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.71 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.71 | |
U1N | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.72 | |
N9H | (5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)- N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H- PYRAZOLE-1-CARBOXAMIDE | A,B | 2G1Q | 0.75 | |
N2T | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.84 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.78 | |
| BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.78 | |
| BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.78 | |
FPB | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.71 | |
37U | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.74 | |
N4T | (1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5- DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO- 1H-PYRROL-1-YL]-2-OXOETHANAMINE | A,B | 2FL2 | 0.73 | |
APE | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.7 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.71 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.71 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.71 | |
| CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.71 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.7 | |
CPU | A,B | 1CR6 | 0.82 | | |
CRP | ((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE | A | 2STD | 0.71 | |
| CRP | ((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE | A,B,C | 7STD | 0.71 | |
N5T | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.82 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.72 | |
| PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.72 | |
L86 | (11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19- DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17- BENZOHEXAAZACYCLOHENICOSINE-3,24- DIONE | A,B | 1NM6 | 0.7 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.7 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.71 | |
SRE | (1S,4S)-4-(3,4-dichlorophenyl)- N-methyl-1,2,3,4-tetrahydronaphthalen- 1-amine | A | 3GWU | 0.7 | |