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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01458223

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
165N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-
N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE
H,I1SB10.8
D93N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-
2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-
4,5,6,7-TETRAHYDROTHIAZOLO[5,4-
C]PYRIDINE-2-CARBOXAMIDE
A2EI70.73
SRS4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-
12(19),13(18),15,17-TETRAENE-10-
CARBAMOYL)PENTA-METHYLSULFONEDIIMINE
A1MMR0.72
RWJCYCLOPENTANECARBOXYLIC ACID [1-
(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-
BUTYL]-AMIDE
A1QCP0.84
D92N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-
2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-
4,5,6,7-TETRAHYDROTHIAZOLO[5,4-
C]PYRIDINE-2-CARBOXAMIDE
A2EI60.73
MZ7N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-
BENZOTHIAZOL-6-YLSULFONYL)(PENTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYL}-L-VALINAMIDE
A,B2QI50.71
ABB(2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-
1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-
4-HYDROXY-2-PYRROLIDINECARBOXAMIDE
A1NC60.78
AR2ARGINYL-BENZOTHIAZOLE-6-CARBOXYLIC ACIDA,B,I1DOJ0.7
D8G6-(2-fluorobenzyl)-2,4-dimethyl-
4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-
d]pyridazin-5-one
A,B,C,D3H6O0.7
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
A2EI80.72
B18(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-
1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-
2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-
6-CARBOXAMIDE
A,B,C2PZY0.76
3TH2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-
TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-
B]PYRROLE-5-CARBOXAMIDE
A2GM90.7
PR2THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-
OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-
2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE
A1F0S0.7
F32(5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-
2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-
3-ONE 1,1-DIOXIDE
A2CNF0.74
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
LS2N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-
8H-[1,3]THIAZOLO[5,4-E]INDOL-8-
YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE
A1KE60.71
D421-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-
4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-
5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA
A2B520.7