Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01107814
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 |
T50![]() | 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)- 4-METHYL-1H-BENZIMIDAZOLE | A | 2B6A | 0.7 | ![]() |
22M![]() | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.79 | ![]() |
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 | ![]() |
LL1![]() | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 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 | ![]() | |
LTN![]() | L-TRYPTOPHANAMIDE | A | 1MAU | 0.71 | ![]() |
LTN![]() | L-TRYPTOPHANAMIDE | A,B | 2QUI | 0.71 | ![]() |
TOX![]() | 2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL | A,B | 2DV2 | 0.74 | ![]() |
TOX![]() | 2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL | A,B | 2FXJ | 0.74 | ![]() |
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 | ![]() |
RRS![]() | N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO- 1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA- 12(19),13,15,17-TETRAEN-10-YL)- SUCCINAMIDE | A | 1MMQ | 0.71 | ![]() |
P83![]() | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.84 | ![]() |
MIB![]() | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.79 | ![]() |
C8C![]() | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin- 4(3H)-one | A | 2VA5 | 0.7 | ![]() |
N5P![]() | 1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)- HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]- BETA-D-ERYTHRO-PENTOFURANOSYL}- 5-NITRO-1H-INDOLE | A,P,T | 2OZM | 0.73 | ![]() |
N5P![]() | 1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)- HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]- BETA-D-ERYTHRO-PENTOFURANOSYL}- 5-NITRO-1H-INDOLE | A,C,E,F,I,J,K | 2OYQ | 0.73 | ![]() |
PRM![]() | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.73 | ![]() |
WSK![]() | (2S)-1-(3,6-DIBROMO-9H-CARBAZOL- 9-YL)-3-(DIMETHYLAMINO)PROPAN-2- OL | A | 1T84 | 0.75 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.71 | ![]() |
ATU![]() | 9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5- B]INDOL-6-ONE | A,B | 1Q3W | 0.78 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.77 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.77 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.77 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.77 | ![]() |
RKA![]() | N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1- PHENYLENE)DIBENZENECARBOXIMIDAMIDE | A | 2GYX | 0.7 | ![]() |
TPL![]() | TRYPTOPHANOL | A | 1EE7 | 0.7 | ![]() |
AYM![]() | 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL- N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE | A,B | 1LXC | 0.7 | ![]() |
23M![]() | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.79 | ![]() |
CMI![]() | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL- 1H-INDOLE-2-CARBOXYLIC ACID 3,5- DIMETHYL-BENZYLAMIDE | B | 1LQD | 0.7 | ![]() |
BD4![]() | 6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4- C]CARBAZOLE-1,3(2H,6H)-DIONE | A | 1WVX | 0.72 | ![]() |
PRL![]() | PROFLAVIN | H,I | 1BCU | 0.72 | ![]() |
PRL![]() | PROFLAVIN | A,B,D,E | 1QVT | 0.72 | ![]() |
PRL![]() | PROFLAVIN | A,B | 2KD4 | 0.72 | ![]() |
PRL![]() | PROFLAVIN | A | 1QVU | 0.72 | ![]() |
TSR![]() | 2-(1H-INDOL-3-YL)ACETAMIDE | D,H | 2OJY | 0.71 | ![]() |
TSR![]() | 2-(1H-INDOL-3-YL)ACETAMIDE | A,D,H | 2OIZ | 0.71 | ![]() |
MHC![]() | 3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO- B-CARBOLIN-2-YL)-PROPAN-1-ONE | A | 1NBP | 0.73 | ![]() |
TTR![]() | 9-ACETYL-2,3,4,9-TETRAHYDRO-1H- CARBAZOL-1-ONE | A | 2D82 | 0.75 | ![]() |
ZAM![]() | 3-[(ACETYL-METHYL-AMINO)-METHYL]- 4-AMINO-N-METHYL-N-(1-METHYL-1H- INDOL-2-YLMETHYL)-BENZAMIDE | A,B | 1LX6 | 0.75 | ![]() |
MI2![]() | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.78 | ![]() |
THA![]() | TACRINE | A,B | 2AOW | 0.72 | ![]() |
THA![]() | TACRINE | A,B,C,D,E,F | 1MX1 | 0.72 | ![]() |
THA![]() | TACRINE | A,B | 2AOX | 0.72 | ![]() |
THA![]() | TACRINE | A | 1ACJ | 0.72 | ![]() |
047![]() | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.79 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 1JT6 | 0.72 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR2 | 0.72 | ![]() |
DEQ![]() | DEQUALINIUM | A | 1OYD | 0.72 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BT9 | 0.72 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BTJ | 0.72 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR1 | 0.72 | ![]() |
L12![]() | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.77 | ![]() |
2MI![]() | 2-METHYL-1H-INDOLE | A | 2PIO | 0.79 | ![]() |
6IP![]() | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.73 | ![]() |
251![]() | N-[amino(imino)methyl]-2-(2,5-diphenyl- 1H-pyrrol-1-yl)acetamide | A | 2QU2 | 0.71 | ![]() |
CRZ![]() | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | A | 1TOW | 0.79 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.7 | ![]() |
N5I![]() | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-5-NITRO- 1H-INDOLE | A,C,E,F,I,J,K | 2OYQ | 0.74 | ![]() |
DAP![]() | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 1D30 | 0.79 | ![]() |
DAP![]() | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 432D | 0.79 | ![]() |
2IG![]() | 6-ETHYL-5-[9-(3-METHOXYPROPYL)- 9H-CARBAZOL-2-YL]PYRIMIDINE-2,4- DIAMINE | A,B | 2G1O | 0.72 | ![]() |
FPH![]() | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4- YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL | A | 1OZ1 | 0.73 | ![]() |
LG1![]() | 3,11-DIFLUORO-6,8,13-TRIMETHYL- 8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM | A,B,D | 1NZM | 0.73 | ![]() |
SIE![]() | SULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)- 1H-INDOL-6-YL ESTER | A | 2BRP | 0.72 | ![]() |
TSH![]() | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.77 | ![]() |
TSH![]() | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.77 | ![]() |
TSH![]() | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.77 | ![]() |
9CA![]() | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.8 | ![]() |
IND![]() | INDOLE | A | 1L4H | 0.76 | ![]() |
IND![]() | INDOLE | A,B,G | 1O7N | 0.76 | ![]() |
IND![]() | INDOLE | A | 185L | 0.76 | ![]() |
IND![]() | INDOLE | A,B | 1EG9 | 0.76 | ![]() |
IND![]() | INDOLE | A,B | 1UUV | 0.76 | ![]() |
IND![]() | INDOLE | A,C,E | 2B24 | 0.76 | ![]() |
IND![]() | INDOLE | A,B,C,D,E,F | 2P85 | 0.76 | ![]() |