Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03250919
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 |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.79 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.73 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.73 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.7 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.71 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.76 | |
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 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.71 | |
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 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.72 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.72 | |
IDM | INDOLINE | A,B | 3CEP | 0.79 | |
IDM | INDOLINE | A | 1AEK | 0.79 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T | 1UW6 | 0.71 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.71 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.71 | |
LG8 | 3-(8-DIMETHYLAMINOMETHYL-6,7,8,9- TETRAHYDRO-PYRIDO[1,2-A]INDOL-10- YL)-4-(1-METHYL-1H-INDOL-3-YL)- PYRROLE-2,5-DIONE | A,B | 2JED | 0.7 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.7 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.74 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.71 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.71 | |
DR1 | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.73 | |
5CY | N,N'-(dipropyl)-tetramethylindodicarbocyanine | C | 3BEP | 0.75 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.76 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.71 |