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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00386225

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PR2THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-
OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-
2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE		A1F0S0.71
TFL2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-
3-METHYL-1,3-BENZOTHIAZOL-3-IUM		A2J3Q0.71
D76(2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-
1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-
C]PYRIDIN-2-YL)CARBONYL]PIPERAZINE-
2-CARBOXAMIDE		A1V3X0.72
BTS3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESULFONIC ACIDA,B1SUX0.72
ABB(2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-
1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-
4-HYDROXY-2-PYRROLIDINECARBOXAMIDE		A1NC60.72
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2PDI0.71
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2PDX0.71
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2DUX0.71
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A1MAR0.71
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2DV00.71
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2PDM0.71
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2PDB0.71
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2PD50.71
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2FZ90.71
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2DUZ0.71
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2PDF0.71
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2HVO0.71
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2HVN0.71
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2FZ80.71
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A2HV50.71
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID		A1FRB0.71
JN5(2S)-1,3-benzothiazol-2-yl{2-[(2-
pyridin-3-ylethyl)amino]pyrimidin-
4-yl}ethanenitrile		A3CY30.72
D92N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-
2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-
4,5,6,7-TETRAHYDROTHIAZOLO[5,4-
C]PYRIDINE-2-CARBOXAMIDE		A2EI60.71
RWJCYCLOPENTANECARBOXYLIC ACID [1-
(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-
BUTYL]-AMIDE		A1QCP0.79
THZBENZOTHIAZOLEH,I,R1TBZ0.74
THZBENZOTHIAZOLEH,I,R1B5G0.74
47D{3-[(5-CHLORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-
1(2H)-YL}ACETIC ACID		A2PDH0.74
47D{3-[(5-CHLORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-
1(2H)-YL}ACETIC ACID		A2PDN0.74
47D{3-[(5-CHLORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-
1(2H)-YL}ACETIC ACID		A2PDG0.74
47D{3-[(5-CHLORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-
1(2H)-YL}ACETIC ACID		A2PDQ0.74
165N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-
N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE		H,I1SB10.74
3NA{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID		A1Z3N0.71
DT8N-((1R,2S,5S)-2-(5-CHLORO-1H-INDOLE-
2-CARBOXAMIDO)-5-(DIMETHYLCARBAMOYL)CYCLOHEXYL)-
5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-
C]PYRIDINE-2-CARBOXAMIDE		A2EI80.71
MZ7N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-
BENZOTHIAZOL-6-YLSULFONYL)(PENTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYL}-L-VALINAMIDE		A,B2QI50.72
RRR4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-
1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-
2-ONE		A1NFW0.71
P90{4-[(2S,4E)-2-(1,3-BENZOTHIAZOL-
2-YL)-2-(1H-1,2,3-BENZOTRIAZOL-
1-YL)-5-PHENYLPENT-4-ENYL]PHENYL}(DIFLUORO)METHYLPHOSPHONIC ACID		A,B1Q6N0.72
D93N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-
2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-
4,5,6,7-TETRAHYDROTHIAZOLO[5,4-
C]PYRIDINE-2-CARBOXAMIDE		A2EI70.71