Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00934288
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 |
RKA | N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1- PHENYLENE)DIBENZENECARBOXIMIDAMIDE | A | 2GYX | 0.73 | |
23M | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.8 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.75 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.75 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.75 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.75 | |
SBB | N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL- BENZAMIDE | A | 1IF9 | 0.71 | |
IND | INDOLE | A | 1L4H | 0.73 | |
IND | INDOLE | A,B,G | 1O7N | 0.73 | |
IND | INDOLE | A | 185L | 0.73 | |
IND | INDOLE | A,B | 1EG9 | 0.73 | |
IND | INDOLE | A,B | 1UUV | 0.73 | |
IND | INDOLE | A,C,E | 2B24 | 0.73 | |
IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.73 | |
BI3 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE- 2,5-DIONE | A | 1UU9 | 0.71 | |
N8T | N-[8-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN- 9-AMINE | A | 2CEK | 0.7 | |
MI2 | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.8 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.75 | |
MHC | 3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO- B-CARBOLIN-2-YL)-PROPAN-1-ONE | A | 1NBP | 0.74 | |
SFP | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)- 21H,23H-PORPHINE | A,B,C,D | 1RIR | 0.77 | |
SFP | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)- 21H,23H-PORPHINE | A | 1PXD | 0.77 | |
SFP | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)- 21H,23H-PORPHINE | A,B,C,D | 1RIT | 0.77 | |
SFP | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)- 21H,23H-PORPHINE | P | 1JN2 | 0.77 | |
K88 | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7- TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)- 2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE | A,D | 2WEL | 0.72 | |
PDS | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL- 1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | A,B | 2I0E | 0.74 | |
2PT | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.7 | |
422 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN- 1-YL]METHYL}-1H-INDOL-2-YL)-1H- INDAZOLE-6-CARBONITRILE | A | 2HXL | 0.7 | |
22M | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.8 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.75 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.75 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.75 | |
DBN | 6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)- 2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL- 2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE | A | 2B3E | 0.74 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1XWS | 0.71 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | B | 2BIK | 0.71 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1ZRZ | 0.71 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | B | 2BIL | 0.71 | |
BI1 | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1UU8 | 0.71 | |
BI2 | 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)- 1-METHYLPYRROLIDINYL]ETHYL}-1H- INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | A | 1UU7 | 0.71 | |
BI4 | 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN- 2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE- 2,5-DIONE | A,B | 1SZM | 0.71 | |
D1B | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}- 2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE | A | 1VZK | 0.77 | |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.79 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.75 | |
3NA | {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL- 2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID | A | 1Z3N | 0.71 | |
P90 | {4-[(2S,4E)-2-(1,3-BENZOTHIAZOL- 2-YL)-2-(1H-1,2,3-BENZOTRIAZOL- 1-YL)-5-PHENYLPENT-4-ENYL]PHENYL}(DIFLUORO)METHYLPHOSPHONIC ACID | A,B | 1Q6N | 0.7 | |
9CA | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.83 | |
DRN | BISINDOLYLMALEIMIDE IX | A | 2V7O | 0.7 | |
DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 1D30 | 0.79 | |
DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 432D | 0.79 | |
P83 | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.79 | |
POH | 5,10,15,20-TETRA-(4-N-METHYLPYRIDYL) PORPHINE | A | 2HRI | 0.73 | |
POH | 5,10,15,20-TETRA-(4-N-METHYLPYRIDYL) PORPHINE | A | 2A5R | 0.73 | |
TOT | 1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)- BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO- 1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM | A | 108D | 0.72 |