Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02458376
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 | |
A8B | A | 1ODC | 0.74 | ||
XXZ | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE | A,B | 3E65 | 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 | |
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 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.72 | |
TPB | 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)- PYRIMIDIN-2-YLAMINO]-BENZONITRILE | A | 1S6Q | 0.7 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.74 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.74 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.74 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.77 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.7 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.86 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.71 | |
CXX | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q6H | 0.71 | |
CXX | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2QEI | 0.71 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.71 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.7 | |
501 | N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)- 5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE- 2,7-DIAMINE | A,B | 1ZGV | 0.7 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.7 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.72 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.77 | |
AGB | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA | A | 1EJN | 0.7 | |
IDM | INDOLINE | A,B | 3CEP | 0.75 | |
IDM | INDOLINE | A | 1AEK | 0.75 | |
AS3 | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.7 | |
7IG | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE | A | 2IKO | 0.72 | |
7IG | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}- 6-ETHYLPYRIMIDINE-2,4-DIAMINE | A | 2G24 | 0.72 | |
DR1 | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.72 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.73 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.7 | |
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 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.71 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.77 | |
MGR | MALACHITE GREEN | A | 1Q8N | 0.77 | |
MGR | MALACHITE GREEN | A,B | 3BR0 | 0.77 | |
MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.77 | |
MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.77 | |
MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.77 | |
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 | 0.77 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.72 | |
T27 | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A,B | 2ZD1 | 0.7 | |
T27 | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A | 2ZE2 | 0.7 | |
T27 | 4-{[4-({4-[(E)-2-cyanoethenyl]- 2,6-dimethylphenyl}amino)pyrimidin- 2-yl]amino}benzonitrile | A,B | 3BGR | 0.7 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.77 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.72 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.77 |