Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00606778
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 |
I06![]() | 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE- 1,4-DIONE | D,E,F,G,H,L, M,N,O,P | 1EEF | 0.72 | ![]() |
N5T![]() | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.75 | ![]() |
GCA![]() | 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL- 5-ISOPROPYLURACIL | A | 1C1B | 0.71 | ![]() |
F1K![]() | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine- 2-carboxamide | A,B,C | 2ZJK | 0.75 | ![]() |
SP8![]() | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.72 | ![]() |
F1J![]() | (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine- 2-carboxamide | A | 2ZJJ | 0.75 | ![]() |
FRQ![]() | 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN- 1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)- DIONE | A,B | 1UK1 | 0.75 | ![]() |
008![]() | (S)-2-[(R)-3-AMINO-4-(2-FLUORO- PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE | A,B,C,D | 2BUC | 0.76 | ![]() |
KHA![]() | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.72 | ![]() |
FPB![]() | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.77 | ![]() |
FFB![]() | N-(2,3,4,5,6-PENTAFLOURO-BENZYL)- 4-SULFAMOYL-BENZAMIDE | A | 1G4J | 0.71 | ![]() |
FFB![]() | N-(2,3,4,5,6-PENTAFLOURO-BENZYL)- 4-SULFAMOYL-BENZAMIDE | A | 1G54 | 0.71 | ![]() |
IOE![]() | 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9P | 0.72 | ![]() |
IOC![]() | 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9O | 0.72 | ![]() |
CPU![]() | A,B | 1CR6 | 0.7 | ![]() | |
BFI![]() | 2[4-BROMO-2-FLUOROPHENYL)METHYL]- 6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'- PYRROLIDINE]-1,2',3,5'(2H)-TETRONE | A | 1PWL | 0.71 | ![]() |
IOA![]() | 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9N | 0.72 | ![]() |
KR2![]() | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN- 1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN- 2-AMINE | A,B | 2OLE | 0.74 | ![]() |
F6B![]() | N-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G48 | 0.72 | ![]() |
F6B![]() | N-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G53 | 0.72 | ![]() |
IOF![]() | 4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9Q | 0.72 | ![]() |
MKC![]() | 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL | A | 1RT1 | 0.73 | ![]() |
53U![]() | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.71 | ![]() |
FSB![]() | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G45 | 0.72 | ![]() |
FSB![]() | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G1D | 0.72 | ![]() |
37U![]() | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.73 | ![]() |
F1H![]() | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.74 | ![]() |
4PI![]() | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.75 | ![]() |
F2B![]() | N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G46 | 0.72 | ![]() |
F2B![]() | N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G52 | 0.72 | ![]() |
U1N![]() | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.71 | ![]() |
N2T![]() | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.8 | ![]() |
SP9![]() | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.72 | ![]() |
INW![]() | 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9M | 0.72 | ![]() |
FPA![]() | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.7 | ![]() |
N4T![]() | (1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5- DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO- 1H-PYRROL-1-YL]-2-OXOETHANAMINE | A,B | 2FL2 | 0.72 | ![]() |
INV![]() | 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9L | 0.72 | ![]() |