Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03168855
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 |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.71 |  |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.9 | |
TFP | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A,B | 1WRK | 0.71 | |
| TFP | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A | 1CTR | 0.71 | |
| TFP | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A,B,C,D,E,F | 1WRL | 0.71 | |
| TFP | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A | 1A29 | 0.71 | |
| TFP | 10-[3-(4-METHYL-PIPERAZIN-1-YL)- PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | A | 1LIN | 0.71 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.73 | |
| XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.73 | |
A8B | A | 1ODC | 0.74 | | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.75 | |
| ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.75 | |
| ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.75 | |
| ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.75 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.73 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.73 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.92 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.87 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.75 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.72 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.73 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.75 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.82 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.73 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.73 | |
CXX | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q6H | 0.81 | |
| CXX | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2QEI | 0.81 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.86 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.73 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.75 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.74 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.7 | |
| ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.7 | |
| ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.7 | |
| ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.7 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.75 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.76 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.71 | |
L18 | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.71 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.7 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.87 | |
| MGR | MALACHITE GREEN | A | 1Q8N | 0.87 | |
| MGR | MALACHITE GREEN | A,B | 3BR0 | 0.87 | |
| MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.87 | |
| MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.87 | |
| MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.87 | |
MNS | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE | A | 1OKL | 0.73 | |
DR1 | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.8 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.79 | |
| BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.79 | |
ANS | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) | H,J | 1CVW | 0.71 | |
| ANS | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) | H,I | 1A4W | 0.71 | |
| ANS | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) | H,I | 1FPC | 0.71 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.86 | |
| DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.86 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.75 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.76 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.75 | |
DPK | DEPRENYL | A,B | 2BYB | 0.74 | |
5CY | N,N'-(dipropyl)-tetramethylindodicarbocyanine | C | 3BEP | 0.7 | |
3CZ | (2R)-1-[(4-tert-butylphenyl)sulfonyl]- 2-methyl-4-(4-nitrophenyl)piperazine | A,B | 3CZR | 0.72 | |
IDM | INDOLINE | A,B | 3CEP | 0.78 | |
| IDM | INDOLINE | A | 1AEK | 0.78 | |
N5T | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.71 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.7 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.76 | |
FEX | A | 1OSH | 0.71 | | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.7 | |
| PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.7 | |
566 | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.7 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.7 | |
DSY | 5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID | C,D | 1BDA | 0.71 | |
GA0 | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.72 | |
DZP | 7-CHLORO-1-METHYL-5-PHENYL-1,3- DIHYDRO-2H-1,4-BENZODIAZEPIN-2- ONE | A,B | 2BXF | 0.7 | |
TNS | A,B,L | 2G2R | 0.74 | |