Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01244059
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 |
R1C | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene- 5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+) | A | 2O1I | 0.7 | |
R1C | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene- 5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+) | A,B | 3GSK | 0.7 | |
R1C | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene- 5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+) | A | 3GSJ | 0.7 | |
TFL | 2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY- 3-METHYL-1,3-BENZOTHIAZOL-3-IUM | A | 2J3Q | 0.71 | |
N8T | N-[8-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN- 9-AMINE | A | 2CEK | 0.72 | |
MHC | 3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO- B-CARBOLIN-2-YL)-PROPAN-1-ONE | A | 1NBP | 0.72 | |
SRS | 4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA- 12(19),13(18),15,17-TETRAENE-10- CARBAMOYL)PENTA-METHYLSULFONEDIIMINE | A | 1MMR | 0.7 | |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.71 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.71 | |
CRZ | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | A | 1TOW | 0.74 | |
BI8 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A,B | 2VD5 | 0.7 | |
BI8 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1UVR | 0.7 | |
3LP | 1-(CYCLOHEXYLAMINO)-3-(6-METHYL- 3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN- 2-OL | A,B,C,D,E,F | 2P6G | 0.76 | |
DCU | A,B | 1J07 | 0.72 | ||
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 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 | 0.72 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.73 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.73 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.73 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.73 | |
DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 1D30 | 0.72 | |
DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 432D | 0.72 | |
PRM | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.73 | |
ZAM | 3-[(ACETYL-METHYL-AMINO)-METHYL]- 4-AMINO-N-METHYL-N-(1-METHYL-1H- INDOL-2-YLMETHYL)-BENZAMIDE | A,B | 1LX6 | 0.71 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.71 | |
9CA | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.74 | |
CP9 | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN- 1-YL)BENZYL]-3H-BENZOTHIAZOL-2- ONE | A | 1TV6 | 0.73 | |
WSK | (2S)-1-(3,6-DIBROMO-9H-CARBAZOL- 9-YL)-3-(DIMETHYLAMINO)PROPAN-2- OL | A | 1T84 | 0.73 | |
SBS | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF8 | 0.7 | |
2PT | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.7 | |
IND | INDOLE | A | 1L4H | 0.7 | |
IND | INDOLE | A,B,G | 1O7N | 0.7 | |
IND | INDOLE | A | 185L | 0.7 | |
IND | INDOLE | A,B | 1EG9 | 0.7 | |
IND | INDOLE | A,B | 1UUV | 0.7 | |
IND | INDOLE | A,C,E | 2B24 | 0.7 | |
IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.7 | |
LG1 | 3,11-DIFLUORO-6,8,13-TRIMETHYL- 8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM | A,B,D | 1NZM | 0.72 | |
23M | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.73 | |
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 | 0.73 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.73 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.73 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.73 | |
SBR | (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF7 | 0.7 | |
MI2 | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.73 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.8 | |
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 | 0.86 | |
BD4 | 6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4- C]CARBAZOLE-1,3(2H,6H)-DIONE | A | 1WVX | 0.71 | |
THZ | BENZOTHIAZOLE | H,I,R | 1TBZ | 0.7 | |
THZ | BENZOTHIAZOLE | H,I,R | 1B5G | 0.7 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.73 | |
P83 | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.81 | |
DRN | BISINDOLYLMALEIMIDE IX | A | 2V7O | 0.72 | |
PIU | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM | A | 1ZE8 | 0.71 | |
3NA | {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL- 2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID | A | 1Z3N | 0.79 | |
2IG | 6-ETHYL-5-[9-(3-METHOXYPROPYL)- 9H-CARBAZOL-2-YL]PYRIMIDINE-2,4- DIAMINE | A,B | 2G1O | 0.7 | |
MIB | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.74 | |
SFP | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)- 21H,23H-PORPHINE | A,B,C,D | 1RIR | 0.71 | |
SFP | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)- 21H,23H-PORPHINE | A | 1PXD | 0.71 | |
SFP | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)- 21H,23H-PORPHINE | A,B,C,D | 1RIT | 0.71 | |
SFP | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)- 21H,23H-PORPHINE | P | 1JN2 | 0.71 | |
22M | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.73 |