Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02907084
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 |
TFK | 3-[[(METHYLAMINO)SULFONYL]AMINO]- 2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO- 1-(1-METHYLETHYL)-2-OXOPHENYL]- 1(2H)-PYRIDINE ACETAMIDE | A | 1EAS | 0.75 | |
SM1 | N-(BENZYLSULFONYL)-D-SERYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BENZYL)- L-ALANINAMIDE | U | 1W13 | 0.72 | |
DOE | (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)- ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE- N,N',N'',N'''-TETRAACETATE | A,B,C,D | 1NC2 | 0.73 | |
GCA | 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL- 5-ISOPROPYLURACIL | A | 1C1B | 0.71 | |
TFI | 2-[5-METHANESULFONYLAMINO-2-(4- AMINOPHENYL)-6-OXO-1,6-DIHYDRO- 1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO- 1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE | A | 1EAT | 0.72 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.73 | |
FRQ | 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN- 1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)- DIONE | A,B | 1UK1 | 0.73 | |
CF4 | [4-(7,8-dimethyl-2,4-dioxo-3,4- dihydrobenzo[g]pteridin-10(2H)- yl)butyl]carbamic acid | A | 2VKG | 0.7 | |
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 | 0.7 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.75 | |
357 | 5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]- 6-METHYL-4-(3-METHYLBENZYL)PYRIDIN- 2(1H)-ONE | A | 2BAN | 0.72 | |
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 | |
FNR | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A,B,C,D,E,F, G,H | 2ISL | 0.71 | |
FNR | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A,B,C,D | 2ZRY | 0.71 | |
FNR | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A,B,C,D | 2ZRV | 0.71 | |
FNR | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A,B,C,D,E,F, G,H | 2ISK | 0.71 | |
FNR | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A,B,C,D | 2ZRZ | 0.71 | |
FNR | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO- 3,4-DIHYDRO-2H-BENZO[G]PTERIDIN- 1-ID-10(5H)-YL)-5-O-PHOSPHONATO- D-RIBITOL | A | 2FZ5 | 0.71 | |
FG1 | N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)- PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}- ETHYL)-PHENYL]-OXALAMIC ACID | A | 1NWE | 0.72 | |
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 | 0.7 | |
D5G | (2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)- N-((3S)-TETRAHYDRO-2-HYDROXY-3- FURANYL)PENTANAMIDE | A | 2G8E | 0.71 | |
230 | (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~- [2-FLUORO-4-(2-OXOPYRIDIN-1(2H)- YL)PHENYL]-4-METHOXYPYRROLIDINE- 1,2-DICARBOXAMIDE | A | 2PHB | 0.71 | |
HBQ | ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE | A | 2OPR | 0.7 | |
HBQ | ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE | A,B | 2OPS | 0.7 | |
HBQ | ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE | A | 2OPP | 0.7 | |
HBQ | ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE | A | 2OPQ | 0.7 | |
MKC | 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL | A | 1RT1 | 0.73 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.71 | |
SLD | (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]- 2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent- 4-en-1-yl]-3-(4-methyl-2,6-dioxo- 1,6-dihydropyrimidin-5(2H)-ylidene)propanamide | 0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z | 3CXC | 0.79 | |
ZLD | N-{[(5S)-3-(3-fluoro-4-morpholin- 4-ylphenyl)-2-oxo-1,3-oxazolidin- 5-yl]methyl}acetamide | 0,1,2,4,9,A, B,C,F,H,I,J, K,L,M,N,P,Q, R,S,T,X,Y,Z | 3CPW | 0.73 | |
ZLD | N-{[(5S)-3-(3-fluoro-4-morpholin- 4-ylphenyl)-2-oxo-1,3-oxazolidin- 5-yl]methyl}acetamide | 4,M,X,Y,Z | 3DLL | 0.73 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.72 | |
TF2 | (N-{4-[(ETHYLANILINO)SULFONYL]- 2-METHYLPHENYL}-3,3,3-TRIFLUORO- 2-HYDROXY-2-METHYLPROPANAMIDE | A | 2BU6 | 0.7 | |
LIZ | N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}- N-{(2R)-2-[bis(carboxymethyl)amino]- 3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine | A,B | 3DSZ | 0.74 | |
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 | |
GA0 | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.72 | |
EOT | [(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID | H | 1INE | 0.76 | |
EOT | [(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID | H | 1IND | 0.76 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.72 |