Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00444131
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 |
IQU![]() | N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE | A,B,C,D | 2CKE | 0.7 | ![]() |
CMW![]() | 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin- 4-ylcarbamate | A | 2W0B | 0.7 | ![]() |
SBS![]() | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF8 | 0.75 | ![]() |
CM9![]() | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.74 | ![]() |
QIN![]() | N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]- 2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)- 6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE | A | 2OAH | 0.77 | ![]() |
107![]() | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL- 8-YLMETHYL)-AMINO]-N-PYRIDIN-2- YL-BENZENESULFONAMIDE | A,C | 1FVV | 0.71 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.71 | ![]() |
NHB![]() | N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)- 2-THIENYL]SULFONYL}AMINO)BENZAMIDE | A,B | 1W22 | 0.82 | ![]() |
SBB![]() | N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL- BENZAMIDE | A | 1IF9 | 0.72 | ![]() |
796![]() | N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]- 5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE- 2-CARBOXAMIDE | A | 2GU8 | 0.7 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.72 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.72 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.72 | ![]() |
CM6![]() | (2S)-2-[(2,1,3-BENZOTHIADIAZOL- 4-YLSULFONYL)AMINO]-2-PHENYL-N- PYRIDIN-4-YLACETAMIDE | A | 2CIB | 0.7 | ![]() |
PR2![]() | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2- OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN- 2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | A | 1F0S | 0.72 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.73 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.73 | ![]() |
PF3![]() | (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]- THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID | A,B | 1UTZ | 0.77 | ![]() |
I10![]() | 1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO- 3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE | A | 1BGO | 0.72 | ![]() |
U73![]() | N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE | A | 2BTR | 0.74 | ![]() |
RRR![]() | 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}- 1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN- 2-ONE | A | 1NFW | 0.71 | ![]() |
SBR![]() | (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF7 | 0.75 | ![]() |
B97![]() | (10R)-10-methyl-3-(6-methylpyridin- 3-yl)-9,10,11,12-tetrahydro-8H- [1,4]diazepino[5',6':4,5]thieno[3,2- f]quinolin-8-one | X | 3FYJ | 0.7 | ![]() |
IQS![]() | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.71 | ![]() |
180![]() | 2-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]- 3-[[2-CARBONYL-5-[2-(PIPERIDIN- 4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]- PROPIONIC ACID | A,B | 2VC2 | 0.76 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.71 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.71 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.71 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.71 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.71 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.71 | ![]() |