Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01189881
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 |
NQG![]() | 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY- 2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL- L-ARGINYL-L-TRYPTOPHANAMIDE | A | 2NQG | 0.7 | ![]() |
RSS![]() | 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA- 12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)- HEXANOIC ACID | A,B | 1MMP | 0.73 | ![]() |
IPF![]() | N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N- ACETYLTRYPTOPHYLVALYL)PYRROLIDIN- 2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE | A,B | 2A1E | 0.71 | ![]() |
CMF![]() | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID | A | 2BRK | 0.71 | ![]() |
YPA![]() | (S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)- PHENYL)-2-ETHOXY-PROPIONIC ACID | A | 1KNU | 0.71 | ![]() |
RDF![]() | N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)- L-LEUCYL-L-TRYPTOPHAN | A | 1DMT | 0.71 | ![]() |
RDF![]() | N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)- L-LEUCYL-L-TRYPTOPHAN | A | 3DWB | 0.71 | ![]() |
RDF![]() | N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)- L-LEUCYL-L-TRYPTOPHAN | A | 3DBK | 0.71 | ![]() |
FRN![]() | A | 2CV3 | 0.72 | ![]() | |
NQI![]() | N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2- HYDROXY-4-OXOBUTANOYL]AMINO}PENT- 4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE | A | 2NQI | 0.72 | ![]() |
LY4![]() | (9R)-9-[(DIMETHYLAMINO)METHYL]- 6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17- DIMETHENODIBENZO[E,K]PYRROLO[3,4- H][1,4,13]OXADIAZACYCLOHEXADECINE- 18,20-DIONE | B | 2J2I | 0.74 | ![]() |
LY4![]() | (9R)-9-[(DIMETHYLAMINO)METHYL]- 6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17- DIMETHENODIBENZO[E,K]PYRROLO[3,4- H][1,4,13]OXADIAZACYCLOHEXADECINE- 18,20-DIONE | A | 1UU3 | 0.74 | ![]() |
GPI![]() | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.72 | ![]() |
STU![]() | STAUROSPORINE | A,B | 3CBL | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 1QPJ | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A,B | 3CD3 | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 2ITU | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A,B | 2BUJ | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A,B | 2CLQ | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 1XBC | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 2ITW | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 1E8Z | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 1YHS | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A,B | 3D7T | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 1QPD | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 2Z7R | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A,B,C,D | 2NRY | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 1U59 | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 1NVR | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A,B,C,D | 2OIC | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 1AQ1 | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 1BYG | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A,B | 1SM2 | 0.71 | ![]() |
STU![]() | STAUROSPORINE | X | 2DQ7 | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 3CKX | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A,B | 1Q3D | 0.71 | ![]() |
STU![]() | STAUROSPORINE | E | 1STC | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 1OKY | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 1WVY | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 2HW7 | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A,B | 1SNU | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 2ITQ | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A,B,C,D | 1NXK | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 3BKB | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 1XJD | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A | 3FME | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A,B | 2GCD | 0.71 | ![]() |
STU![]() | STAUROSPORINE | A,B,C | 2PZY | 0.71 | ![]() |
DFN![]() | 3-[3-(2,3-DIHYDROXY-PROPYLAMINO)- PHENYL]-4-(5-FLUORO-1-METHYL-1H- INDOL-3-YL)-PYRROLE-2,5-DIONE | A,B | 1R0E | 0.7 | ![]() |
NYC![]() | [(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]- 4-(1H-INDOL-3-YLMETHYLENE)-5-OXO- 4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | A | 2Q57 | 0.7 | ![]() |
NYC![]() | [(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]- 4-(1H-INDOL-3-YLMETHYLENE)-5-OXO- 4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | A | 1OXE | 0.7 | ![]() |
NYC![]() | [(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]- 4-(1H-INDOL-3-YLMETHYLENE)-5-OXO- 4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | A | 1OXD | 0.7 | ![]() |
CRZ![]() | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | A | 1TOW | 0.71 | ![]() |
KSA![]() | K-252A | A | 1R0P | 0.71 | ![]() |
KSA![]() | K-252A | A | 3EQF | 0.71 | ![]() |
115![]() | 7-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL- 1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID | A,B,C,D | 1HWI | 0.72 | ![]() |
EHD![]() | 4-ETHYL-4-HYDROXY-1,12-DIHYDRO- 4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE- 3,13-DIONE | A,C,D | 1T8I | 0.71 | ![]() |
ZAM![]() | 3-[(ACETYL-METHYL-AMINO)-METHYL]- 4-AMINO-N-METHYL-N-(1-METHYL-1H- INDOL-2-YLMETHYL)-BENZAMIDE | A,B | 1LX6 | 0.72 | ![]() |
4ST![]() | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE | A | 2J0J | 0.71 | ![]() |
4ST![]() | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE | B | 2J0M | 0.71 | ![]() |
4ST![]() | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE | A,B | 2J0K | 0.71 | ![]() |
4ST![]() | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE | A | 1YVJ | 0.71 | ![]() |
4ST![]() | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE | A,B,C | 2HZ4 | 0.71 | ![]() |
4MF![]() | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-4-METHYL- 1H-INDOLE | C | 2OXM | 0.72 | ![]() |
4MF![]() | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-4-METHYL- 1H-INDOLE | B,C | 2OYT | 0.72 | ![]() |
TRF![]() | N1-FORMYL-TRYPTOPHAN | A,B | 1VRK | 0.73 | ![]() |
TRF![]() | N1-FORMYL-TRYPTOPHAN | A,B,C,D | 1QS7 | 0.73 | ![]() |