Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03286071
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 |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.7 | ![]() |
6IG![]() | 6-ETHYL-5-[1-(3-METHOXYPROPYL)- 1,2,3,4-TETRAHYDROQUINOLIN-7-YL]- N~4~-(2-PHENYLETHYL)PYRIMIDINE- 2,4-DIAMINE | A,B | 2G22 | 0.7 | ![]() |
BMO![]() | N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9- YLAMINO)PROPYL]PROPANE-1,3-DIAMINE | A | 2GJB | 0.7 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.73 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.73 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.73 | ![]() |
TPM![]() | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.85 | ![]() |
PRM![]() | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.7 | ![]() |
A8B![]() | A | 1ODC | 0.73 | ![]() | |
ZAT![]() | 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE) | A | 2W0J | 0.73 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.77 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.71 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.71 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.73 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1RFN | 0.73 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.73 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.73 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIZ | 0.73 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIW | 0.73 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.73 | ![]() |
A8N![]() | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.72 | ![]() |
SII![]() | N-(4-{[4-(cyclohexylamino)-1-(3- fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec- 3-en-8-yl]methyl}phenyl)acetamide | A | 3FKT | 0.74 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.75 | ![]() |
F11![]() | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.72 | ![]() |
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 | ![]() |
I40![]() | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.71 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.78 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 1JT6 | 0.73 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR2 | 0.73 | ![]() |
DEQ![]() | DEQUALINIUM | A | 1OYD | 0.73 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BT9 | 0.73 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BTJ | 0.73 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR1 | 0.73 | ![]() |
AA7![]() | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLHEPTANE-1,7-DIAMINE | A | 2CKM | 0.72 | ![]() |
L86![]() | (11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19- DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17- BENZOHEXAAZACYCLOHENICOSINE-3,24- DIONE | A,B | 1NM6 | 0.72 | ![]() |
BRN![]() | BERENIL | A,B | 268D | 0.74 | ![]() |
BRN![]() | BERENIL | A,B | 1D63 | 0.74 | ![]() |
BRN![]() | BERENIL | A,D,E | 2GBY | 0.74 | ![]() |
BRN![]() | BERENIL | A | 2DBE | 0.74 | ![]() |
BRN![]() | BERENIL | A | 2GVR | 0.74 | ![]() |
MM0![]() | N,N'-(dibenzo[b,j][1,7]phenanthroline- 2,10-diyldimethanediyl)dipropan- 1-amine | B | 2JWQ | 0.71 | ![]() |
RKA![]() | N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1- PHENYLENE)DIBENZENECARBOXIMIDAMIDE | A | 2GYX | 0.71 | ![]() |
FRM![]() | 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO- 1(2H)-PYRIDINYL]PROPYL}-8-METHYL- 4(3H)-QUINAZOLINONE | A,B | 1UK0 | 0.7 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.78 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.78 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.78 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.78 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.78 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.78 | ![]() |
7IG![]() | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE | A | 2IKO | 0.73 | ![]() |
7IG![]() | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE | A | 2G24 | 0.73 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.72 | ![]() |