Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02464839
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 |
PTI | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL- ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-6-OL | A | 1UOM | 0.78 | |
C47 | METHYL (3R)-1-[(5S,6S,8R)-5-AMINO- 9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL- 9-OXO-NONANOYL]-3,4-DIHYDRO-2H- QUINOLINE-3-CARBOXYLATE | C,O | 2V16 | 0.71 | |
PIR | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.72 | |
RPF | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]- PHENYL}-6-(1,2,,3,4-TETRAHYDRO- QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN- 2-ONE | A,B | 2BKT | 0.75 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.71 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.71 | |
AEJ | (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2- A]PYRAZIN-2-YL]PHENYL}-2-PHENYL- 1,2,3,4-TETRAHYDROISOQUINOLIN-6- OL | A,B,C,D | 1XQC | 0.78 | |
MU0 | (5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY- 4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN- 1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]- 2-OXO-3-PHENYL-1,3-OXAZOLIDINE- 5-CARBOXAMIDE | A,B | 2Q55 | 0.73 | |
A8B | A | 1ODC | 0.7 | ||
PZ1 | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7- DIHYDROQUINOLIN-7-YL]OXY}METHYL)- 1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN- 2-ONE | B | 2FS4 | 0.73 | |
PZ1 | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7- DIHYDROQUINOLIN-7-YL]OXY}METHYL)- 1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN- 2-ONE | A | 2BKS | 0.73 | |
012 | (4S)-N-[(1S,2R)-1-benzyl-3-{[3- (dimethylamino)benzyl]amino}-2- hydroxypropyl]-1-(3-methoxybenzyl)- 2-oxoimidazolidine-4-carboxamide | A,B,C | 3CKP | 0.7 | |
BS2 | (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11- DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE | A,D,E | 2W8G | 0.72 | |
DMQ | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- 1,3-BIS([(3-AMINO)PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE | B | 1RQ9 | 0.72 | |
DMQ | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- 1,3-BIS([(3-AMINO)PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE | A,B | 1DMP | 0.72 | |
DMQ | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- 1,3-BIS([(3-AMINO)PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE | A | 1MER | 0.72 | |
376 | N-[(naphthalen-1-ylamino)(oxo)acetyl]- beta-D-glucopyranosylamine | A | 3CUU | 0.72 | |
AJM | AJMALINE | A,B,C,D | 3CBI | 0.7 | |
AJM | AJMALINE | A | 3FG5 | 0.7 | |
AJM | AJMALINE | A | 1ZR8 | 0.7 | |
AJM | AJMALINE | A | 2QUE | 0.7 | |
179 | N-[(naphthalen-2-ylamino)(oxo)acetyl]- beta-D-glucopyranosylamine | A | 3CUT | 0.71 | |
HNT | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.7 | |
009 | (4S)-1,4-dibenzyl-N-[(1S,2R)-1- benzyl-3-{[3-(dimethylamino)benzyl]amino}- 2-hydroxypropyl]-2-oxoimidazolidine- 4-carboxamide | A,B,C | 3CKR | 0.71 |