Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01626630
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 |
XYD![]() | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.73 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A | 1L4L | 0.73 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.77 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1RFN | 0.77 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.77 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.77 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIZ | 0.77 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIW | 0.77 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.77 | ![]() |
BRN![]() | BERENIL | A,B | 268D | 0.71 | ![]() |
BRN![]() | BERENIL | A,B | 1D63 | 0.71 | ![]() |
BRN![]() | BERENIL | A,D,E | 2GBY | 0.71 | ![]() |
BRN![]() | BERENIL | A | 2DBE | 0.71 | ![]() |
BRN![]() | BERENIL | A | 2GVR | 0.71 | ![]() |
U12![]() | 5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE | A | 2GG2 | 0.72 | ![]() |
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 | ![]() |
1MR![]() | N-METHYLANILINE | X | 2OTZ | 0.72 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.76 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.81 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.81 | ![]() |
FLM![]() | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.71 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.73 | ![]() |
NP1![]() | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.7 | ![]() |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.74 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.77 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.77 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.77 | ![]() |
UFO![]() | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.75 | ![]() |
PL0![]() | 1-phenylguanidine | A | 2O8W | 0.74 | ![]() |
12Q![]() | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.71 | ![]() |
264![]() | (phenylamino)acetonitrile | A | 2RBN | 0.73 | ![]() |
NYL![]() | N-ALLYL-ANILINE | A | 1OVK | 0.74 | ![]() |
TPM![]() | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.83 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.75 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.75 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.75 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.75 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.75 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.75 | ![]() |
DR1![]() | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.74 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.72 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.72 | ![]() |
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 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.75 | ![]() |
U19![]() | 5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)- 5H-PYRAZOL-3-YLAMINE | A | 2GG5 | 0.74 | ![]() |