Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00934243
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 |
AGB![]() | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA | A | 1EJN | 0.71 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.72 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.72 | ![]() |
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 | ![]() |
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 | 0.73 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 3E85 | 0.71 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 2ZJF | 0.71 | ![]() |
EOT![]() | [(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID | H | 1INE | 0.78 | ![]() |
EOT![]() | [(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID | H | 1IND | 0.78 | ![]() |
179![]() | N-[(naphthalen-2-ylamino)(oxo)acetyl]- beta-D-glucopyranosylamine | A | 3CUT | 0.7 | ![]() |
GAS![]() | B,H | 1ETZ | 0.72 | ![]() | |
GAS![]() | H | 2CGR | 0.72 | ![]() | |
376![]() | N-[(naphthalen-1-ylamino)(oxo)acetyl]- beta-D-glucopyranosylamine | A | 3CUU | 0.71 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.7 | ![]() |
DOE![]() | (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)- ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE- N,N',N'',N'''-TETRAACETATE | A,B,C,D | 1NC2 | 0.72 | ![]() |
D5G![]() | (2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)- N-((3S)-TETRAHYDRO-2-HYDROXY-3- FURANYL)PENTANAMIDE | A | 2G8E | 0.71 | ![]() |
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 | 0.74 | ![]() |
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 | 0.74 | ![]() |
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 | 0.74 | ![]() |
GEP![]() | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.71 | ![]() |
BC1![]() | 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN- 9-YL)CARBONYL]AMINO}PROPANOIC ACID | H,Y | 1LO0 | 0.72 | ![]() |
FG1![]() | N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)- PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}- ETHYL)-PHENYL]-OXALAMIC ACID | A | 1NWE | 0.71 | ![]() |
FRQ![]() | 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN- 1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)- DIONE | A,B | 1UK1 | 0.71 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.72 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.72 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 1SLN | 0.74 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 2SRT | 0.74 | ![]() |
INH![]() | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 3BG8 | 0.74 | ![]() |