Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00724010
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 |
SU2 | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.73 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.74 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.74 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.74 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.74 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.79 | |
PRM | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.7 | |
DCU | A,B | 1J07 | 0.7 | ||
LG8 | 3-(8-DIMETHYLAMINOMETHYL-6,7,8,9- TETRAHYDRO-PYRIDO[1,2-A]INDOL-10- YL)-4-(1-METHYL-1H-INDOL-3-YL)- PYRROLE-2,5-DIONE | A,B | 2JED | 0.75 | |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.72 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.77 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.7 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.71 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.79 | |
MGR | MALACHITE GREEN | A | 1Q8N | 0.79 | |
MGR | MALACHITE GREEN | A,B | 3BR0 | 0.79 | |
MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.79 | |
MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.79 | |
MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.79 | |
RKA | N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1- PHENYLENE)DIBENZENECARBOXIMIDAMIDE | A | 2GYX | 0.7 | |
IDM | INDOLINE | A,B | 3CEP | 0.79 | |
IDM | INDOLINE | A | 1AEK | 0.79 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.71 | |
H1N | N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN- 1-YLMETHYL)PHENYL]IMINO}METHYL)- 2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE | A,B | 2BFY | 0.72 | |
A8B | A | 1ODC | 0.7 | ||
9CA | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.73 | |
P83 | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.77 | |
22M | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.72 | |
DR1 | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.78 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.8 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.8 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.79 | |
MI2 | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.72 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.74 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.74 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.74 | |
5CY | N,N'-(dipropyl)-tetramethylindodicarbocyanine | C | 3BEP | 0.78 | |
T5C | 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL- 5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO- 2H-INDOL-2-YLIDENE]-4-METHYLHEPTA- 1,3,5-TRIEN-1-YL}-3,3-DIMETHYL- 5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM | B,H | 2JB6 | 0.71 | |
T5C | 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL- 5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO- 2H-INDOL-2-YLIDENE]-4-METHYLHEPTA- 1,3,5-TRIEN-1-YL}-3,3-DIMETHYL- 5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM | H | 2JB5 | 0.71 | |
CXX | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q6H | 0.7 | |
CXX | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2QEI | 0.7 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.77 | |
3LP | 1-(CYCLOHEXYLAMINO)-3-(6-METHYL- 3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN- 2-OL | A,B,C,D,E,F | 2P6G | 0.73 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.74 | |
23M | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.72 | |
DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 1D30 | 0.71 | |
DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 432D | 0.71 | |
IND | INDOLE | A | 1L4H | 0.71 | |
IND | INDOLE | A,B,G | 1O7N | 0.71 | |
IND | INDOLE | A | 185L | 0.71 | |
IND | INDOLE | A,B | 1EG9 | 0.71 | |
IND | INDOLE | A,B | 1UUV | 0.71 | |
IND | INDOLE | A,C,E | 2B24 | 0.71 | |
IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.71 |