Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00042314
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 |
221 | (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE | A,B | 2IJN | 0.72 | |
TFM | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.7 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.77 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.73 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.7 | |
T2D | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.7 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.74 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.7 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.78 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.9 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.74 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.74 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.73 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.76 | |
A8B | A | 1ODC | 0.72 | ||
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.78 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.78 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.78 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.78 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.73 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.71 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.71 | |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.74 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.72 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.72 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.72 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.72 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.71 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.72 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.72 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.77 | |
U12 | 5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE | A | 2GG2 | 0.71 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.74 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.75 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.73 | |
MGR | MALACHITE GREEN | A | 1Q8N | 0.73 | |
MGR | MALACHITE GREEN | A,B | 3BR0 | 0.73 | |
MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.73 | |
MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.73 | |
MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.73 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.8 | |
44B | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL | A,B,C,D | 1PQ9 | 0.7 | |
NPP | N-(2-AMINO-ETHYL)-4,6-DINITRO-N'- (2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN- 4-YL)-BENZENE-1,3-DIAMINE | L | 1BAF | 0.7 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.8 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.7 | |
TFP | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A,B | 1WRK | 0.73 | |
TFP | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A | 1CTR | 0.73 | |
TFP | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A,B,C,D,E,F | 1WRL | 0.73 | |
TFP | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A | 1A29 | 0.73 | |
TFP | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A | 1LIN | 0.73 | |
DR1 | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.74 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.73 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.76 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.76 | |
IDM | INDOLINE | A,B | 3CEP | 0.77 | |
IDM | INDOLINE | A | 1AEK | 0.77 |