Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03828051
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 |
TEL | TELITHROMYCIN | 0,1,2,3,9,A, B,C,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 1YIJ | 0.76 |  |
| TEL | TELITHROMYCIN | 0 | 1P9X | 0.76 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.71 | |
XN1 | N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4- HYDROXY-2-(1-PHENYLETHYL)-PENTANAMIDE | A,B | 1K6T | 0.72 | |
7HI | (3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)- 2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol- 1(4H)-yl]-3,5-dihydroxyheptanoic acid | A,B,C,D | 3CD5 | 0.72 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,C | 1HSH | 0.72 | |
| MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1SDU | 0.72 | |
| MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B,C,D | 2R5P | 0.72 | |
| MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 1HSG | 0.72 | |
| MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1SDV | 0.72 | |
| MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 2AVS | 0.72 | |
| MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 2AVO | 0.72 | |
| MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1SDT | 0.72 | |
| MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B,D,E | 2AVV | 0.72 | |
| MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 2B7Z | 0.72 | |
| MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 1C6Y | 0.72 | |
| MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 2BPX | 0.72 | |
| MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1K6C | 0.72 | |
| MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 1SGU | 0.72 | |
NNR | Nicotinamide riboside | A | 2QT0 | 0.76 | |
| NNR | Nicotinamide riboside | A | 2QT1 | 0.76 | |
773 | CETHROMYCIN | 0 | 1NWX | 0.77 | |
115 | 7-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL- 1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID | A,B,C,D | 1HWI | 0.71 | |
858 | C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN | A,D | 1QPF | 0.74 | |
RU6 | A | 2O45 | 0.76 | | |
RID | (3R,5R)-7-[2-(4-fluorophenyl)-5- (1-methylethyl)-4-(morpholin-4- ylsulfonyl)-3-phenyl-1H-pyrrol- 1-yl]-3,5-dihydroxyheptanoic acid | A,B,C,D | 3BGL | 0.72 | |
BEJ | N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]- GLUCARYL]-DI-[VALYL-AMIDO-METHANE] | B | 1EC2 | 0.77 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B | 2QTN | 0.72 | |
| NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4F | 0.72 | |
| NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4L | 0.72 | |
| NCN | NICOTINATE MONONUCLEOTIDE | A,B,C,D | 1YUM | 0.72 | |
| NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4M | 0.72 | |
| NCN | NICOTINATE MONONUCLEOTIDE | A,B,C,D,E,F | 1QPN | 0.72 | |
| NCN | NICOTINATE MONONUCLEOTIDE | A,B,C | 2B7Q | 0.72 | |
| NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4K | 0.72 | |
| NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4G | 0.72 | |
| NCN | NICOTINATE MONONUCLEOTIDE | A | 1YTK | 0.72 | |
| NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4H | 0.72 | |
| NCN | NICOTINATE MONONUCLEOTIDE | A | 1L5O | 0.72 | |
GGW | methyl [(1S,4S,5S,7S,10S)-4-benzyl- 1,10-di-tert-butyl-5-hydroxy-2,9,12- trioxo-7-(4-pyridin-2-ylbenzyl)- 13-oxa-3,8,11-triazatetradec-1- yl]carbamate | H | 3GGA | 0.71 | |
GPI | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.78 | |
IMQ | (2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol | A,B | 3EPX | 0.72 | |
NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 2QSZ | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 1TA8 | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 1HYB | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BAA | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BA9 | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1NUP | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1NUS | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1Y1P | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B,C,D,E,F | 2GVG | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BA8 | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BAB | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 3DZK | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B,C | 1GZU | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2H3D | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2G96 | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 2QG6 | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1ISJ | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 3DZJ | 0.75 | |
| NMN | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2HCT | 0.75 | |
587 | C32-O-(1-METHYL-INDOL-5-YL) 18- HYDROXY-ASCOMYCIN | A,C | 1QPL | 0.73 | |
1IN | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPV | 0.75 | |
| 1IN | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPW | 0.75 | |
RDF | N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)- L-LEUCYL-L-TRYPTOPHAN | A | 1DMT | 0.72 | |
| RDF | N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)- L-LEUCYL-L-TRYPTOPHAN | A | 3DWB | 0.72 | |
| RDF | N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)- L-LEUCYL-L-TRYPTOPHAN | A | 3DBK | 0.72 | |
MS3 | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI- [VALINYL-AMINOMETHANYL-PYRIDINE] | A | 1EC3 | 0.77 | |
PRR | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.73 | |
117 | 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL- 3-PHENYL-4-PHENYLCARBAMOYL-PYRROL- 1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID | A,B,C,D | 1HWK | 0.71 | |
DL8 | N-[(4-PHENYL-1H-1,2,3-TRIAZOL-1- YL)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE | A | 2PYI | 0.71 | |
P10 | [1-(3-HYDROXY-2-OXO-1-PHENETHYL- PROPYLCARBAMOYL)2-PHENYL-ETHYL]- CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER | A | 1ME3 | 0.73 | |