Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02502045
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 |
TPM![]() | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.75 | ![]() |
BRN![]() | BERENIL | A,B | 268D | 0.79 | ![]() |
BRN![]() | BERENIL | A,B | 1D63 | 0.79 | ![]() |
BRN![]() | BERENIL | A,D,E | 2GBY | 0.79 | ![]() |
BRN![]() | BERENIL | A | 2DBE | 0.79 | ![]() |
BRN![]() | BERENIL | A | 2GVR | 0.79 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.79 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.72 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1RFN | 0.72 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.72 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.72 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIZ | 0.72 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIW | 0.72 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.72 | ![]() |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.72 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.71 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 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 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.7 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A | 1L4L | 0.7 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A | 1BMA | 0.7 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.7 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.7 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.7 | ![]() |
GVG![]() | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.7 | ![]() |
ZAT![]() | 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE) | A | 2W0J | 0.78 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.73 | ![]() |
34A![]() | 3,4-DIMETHYLANILINE | A | 1L4K | 0.7 | ![]() |
666![]() | 6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX- 1-EN-1-YL]AMINO}PHENYL)-5-METHYL- 4,5-DIHYDROPYRIDAZIN-3(2H)-ONE | A,B,C,D | 1SO2 | 0.71 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.78 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.78 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.73 | ![]() |
MQ0![]() | (3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3- DIPHENYL-ALLYLIDENE)-AMINE | A,B,C | 3STD | 0.72 | ![]() |
N9H![]() | (5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)- N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H- PYRAZOLE-1-CARBOXAMIDE | A,B | 2G1Q | 0.71 | ![]() |
L15![]() | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.71 | ![]() |
UFO![]() | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.7 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.79 | ![]() |
R20![]() | 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE | A | 2ADU | 0.7 | ![]() |
L02![]() | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL- 5-YL]PIPERIDINE | B,I | 1WAY | 0.73 | ![]() |