Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03495462
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 |
MYT![]() | METYRAPONE | A | 1PHG | 0.82 | ![]() |
MYT![]() | METYRAPONE | A | 1W0G | 0.82 | ![]() |
PY7![]() | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.72 | ![]() |
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 | 0.71 | ![]() |
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 | 0.71 | ![]() |
PYF![]() | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.74 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YV5 | 0.73 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 1RQJ | 0.73 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YQ7 | 0.73 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YHL | 0.73 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 2QIS | 0.73 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 2O1O | 0.73 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.73 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.73 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.73 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.75 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.75 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.73 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.73 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.73 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.73 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.73 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.73 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.88 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.72 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A,B | 2QTN | 0.74 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4F | 0.74 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4L | 0.74 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A,B,C,D | 1YUM | 0.74 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4M | 0.74 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A,B,C,D,E,F | 1QPN | 0.74 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A,B,C | 2B7Q | 0.74 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4K | 0.74 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4G | 0.74 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1YTK | 0.74 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L4H | 0.74 | ![]() |
NCN![]() | NICOTINATE MONONUCLEOTIDE | A | 1L5O | 0.74 | ![]() |
PM2![]() | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN- 3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE | A,B,C,D | 2BM2 | 0.7 | ![]() |
368![]() | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.78 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.7 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.7 | ![]() |
LG2![]() | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID | A,B,C,D | 1H9U | 0.75 | ![]() |
NFL![]() | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.71 | ![]() |
NTM![]() | QUINOLINIC ACID | A | 3C2O | 0.76 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B | 1QAP | 0.76 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.76 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C | 2B7N | 0.76 | ![]() |
NNR![]() | Nicotinamide riboside | A | 2QT0 | 0.79 | ![]() |
NNR![]() | Nicotinamide riboside | A | 2QT1 | 0.79 | ![]() |
3HM![]() | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.71 | ![]() |
PAA![]() | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.8 | ![]() |
D1G![]() | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.71 | ![]() |
D3G![]() | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.71 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 2QSZ | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 1TA8 | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 1HYB | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BAA | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BA9 | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1NUP | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1NUS | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1Y1P | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B,C,D,E,F | 2GVG | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BA8 | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BAB | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 3DZK | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B,C | 1GZU | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2H3D | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2G96 | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 2QG6 | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1ISJ | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 3DZJ | 0.76 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2HCT | 0.76 | ![]() |
LIQ![]() | N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)- 2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE | A | 2HM1 | 0.71 | ![]() |
DRP![]() | 2-DEOXYRIBOFURANOSYL-PYRIDINE-5'- MONOPHOSPHATE | A,B | 1JES | 0.72 | ![]() |
PRR![]() | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.78 | ![]() |
PXL![]() | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 3FHX | 0.71 | ![]() |
PXL![]() | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2DDW | 0.71 | ![]() |
PXL![]() | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2Z9W | 0.71 | ![]() |
PXL![]() | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2Z9X | 0.71 | ![]() |
PXL![]() | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 1TD2 | 0.71 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.72 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.72 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.71 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.71 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.71 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.71 | ![]() |
D3E![]() | N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide | A,B,C,D | 3D3E | 0.72 | ![]() |
11P![]() | [(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid) | A | 2RAH | 0.71 | ![]() |
793![]() | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.71 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.73 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.73 | ![]() |
AGE![]() | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.73 | ![]() |
BP5![]() | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.75 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.71 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.71 | ![]() |
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 | 0.7 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.7 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.7 | ![]() |
NIX![]() | NALIDIXIC ACID | A,B | 2BQ2 | 0.75 | ![]() |
BRT![]() | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.71 | ![]() |
GPI![]() | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.81 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.81 | ![]() |
NA4![]() | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.71 | ![]() |
PMC![]() | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.71 | ![]() |