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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00729475

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RWJCYCLOPENTANECARBOXYLIC ACID [1-
(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-
BUTYL]-AMIDE
A1QCP0.77
3TH2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-
TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-
B]PYRROLE-5-CARBOXAMIDE
A2GM90.76
LS2N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-
8H-[1,3]THIAZOLO[5,4-E]INDOL-8-
YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE
A1KE60.73
274(3Z)-N-(3-CHLOROPHENYL)-3-({3,5-
DIMETHYL-4-[(4-METHYLPIPERAZIN-
1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-
N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE
A2J7T0.71
IIE1-{2-[(4-CHLOROPHENYL)AMINO]-2-
OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-
4-YL)-1H-INDOLE-2-CARBOXAMIDE
B2BQW0.73
ME43-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-
1H-INDOLE-6-CARBOXAMIDE
A2P940.71
165N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-
N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE
H,I1SB10.76
47D{3-[(5-CHLORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-
1(2H)-YL}ACETIC ACID
A2PDH0.71
47D{3-[(5-CHLORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-
1(2H)-YL}ACETIC ACID
A2PDN0.71
47D{3-[(5-CHLORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-
1(2H)-YL}ACETIC ACID
A2PDG0.71
47D{3-[(5-CHLORO-1,3-BENZOTHIAZOL-
2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-
1(2H)-YL}ACETIC ACID
A2PDQ0.71
K88(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-
TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-
2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE
A,D2WEL0.7
MZ7N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-
BENZOTHIAZOL-6-YLSULFONYL)(PENTYL)AMINO]-
1-BENZYL-2-HYDROXYPROPYL}-L-VALINAMIDE
A,B2QI50.71
CMB1-(3-carbamimidoylbenzyl)-N-(3,5-
dichlorobenzyl)-4-methyl-1H-indole-
2-carboxamide
B1LPZ0.7
MZ5(2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-
6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-
1-BENZYL-2-HYDROXYPROPYL]-2-HYDROXY-
3-METHYLBUTANAMIDE
A,B2QI30.72
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
A1V3X0.73
770N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-
1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-
9-YL]FORMAMIDE
A2Z2W0.7
FRX(S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-
2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-
3-YL)-6H-THIENO[2,3-B]PYRROLE-5-
CARBOXAMIDE
A,B2IEI0.73
D012-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-
1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-
OXIDE
A2D1J0.73
AM8N-(3-chlorophenyl)-N-methyl-2-oxo-
3-[(3,4,5-trimethyl-1H-pyrrol-2-
yl)methyl]-2H-indole-5-sulfonamide
A2RFS0.73
796N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-
5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-
2-CARBOXAMIDE
A2GU80.72
ME15-CHLORO-N-(2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-
2-CARBOXAMIDE
A2P930.71
D93N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-
2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-
4,5,6,7-TETRAHYDROTHIAZOLO[5,4-
C]PYRIDINE-2-CARBOXAMIDE
A2EI70.8
0941-(2,6-DICHLOROPHENYL)-6-[(2,4-
DIFLUOROPHENYL)SULFANYL]-7-(1,2,3,6-
TETRAHYDRO-4-PYRIDINYL)-3,4-DIHYDROPYRIDO[3,2-
D]PYRIMIDIN-2(1H)-ONE
A1OUY0.7
5Z55-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-
2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE
A2JAV0.71
D92N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-
2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-
4,5,6,7-TETRAHYDROTHIAZOLO[5,4-
C]PYRIDINE-2-CARBOXAMIDE
A2EI60.8
ME55-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-
2-CARBOXAMIDE
A2P950.7
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
A2PDI0.72
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
A2PDX0.72
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
A2DUX0.72
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
A1MAR0.72
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
A2DV00.72
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
A2PDM0.72
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
A2PDB0.72
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
A2PD50.72
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
A2FZ90.72
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
A2DUZ0.72
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
A2PDF0.72
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
A2HVO0.72
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
A2HVN0.72
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
A2FZ80.72
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
A2HV50.72
ZST3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-
2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
A1FRB0.72
F32(5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-
2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-
3-ONE 1,1-DIOXIDE
A2CNF0.72
RRR4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-
1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-
2-ONE
A1NFW0.71
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
A2EI80.79
43B3-NITRO-N-{4-[2-(2-PHENYLETHYL)-
1,3-BENZOTHIAZOL-5-YL]BENZOYL}-
4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
A2O210.74
43B3-NITRO-N-{4-[2-(2-PHENYLETHYL)-
1,3-BENZOTHIAZOL-5-YL]BENZOYL}-
4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
A2O1Y0.74
43B3-NITRO-N-{4-[2-(2-PHENYLETHYL)-
1,3-BENZOTHIAZOL-5-YL]BENZOYL}-
4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
A1YSN0.74
43B3-NITRO-N-{4-[2-(2-PHENYLETHYL)-
1,3-BENZOTHIAZOL-5-YL]BENZOYL}-
4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
A1YSW0.74