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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01234335

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
I52N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-
PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-
SULFAMOYL]-4-PENTYL-BENZAMIDE		A1HOV0.72
F83(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-
1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2OBF0.76
F83(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-
1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2G8N0.76
RYU(2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN-
1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO-
2,3'-BIINDOL-2'(1'H)-ONE		A2BHH0.71
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER		A2FOU0.75
A00N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-
6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-
beta-phenyl-L-phenylalaninamide		A,B2QMP0.78
H186-CHLORO-4-(CYCLOHEXYLSULFINYL)-
3-PROPYLQUINOLIN-2(1H)-ONE		A1TL10.7
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid		A,B3DY60.73
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2ONY0.71
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2ONZ0.71
TF2(N-{4-[(ETHYLANILINO)SULFONYL]-
2-METHYLPHENYL}-3,3,3-TRIFLUORO-
2-HYDROXY-2-METHYLPROPANAMIDE		A2BU60.76
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.74
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE		L35C80.7
MITARGATROBANH1DWC0.72
4CP2-[2-(4-CHLORO-PHENYLSULFANYL)-
ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-
PROPIONAMIDE		H,I2BVR0.73
LZ6L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-
chloroethyl)amino}ethyl)-L-cysteinylglycine		A,B,C,D3CSI0.72
LZ6L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-
chloroethyl)amino}ethyl)-L-cysteinylglycine		A,B3CSH0.72
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.73
055(2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]amino}(phenyl)ethanoic acid		A,B3DDW0.7
MUWN-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-
6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-
BETA-PHENYL-L-PHENYLALANINAMIDE		A,B2Q3K0.72
478{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-
AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-
CARBAMIC ACID TETRAHYDRO-FURAN-
3-YL ESTER		B1HPV0.74
478{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-
AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-
CARBAMIC ACID TETRAHYDRO-FURAN-
3-YL ESTER		A,B1T7J0.74
5HAN-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-
2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE		A2B8L0.71
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE		T1V2P0.7
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE		T1V2O0.7
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE		T1V2Q0.7
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE		T1V2R0.7
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE		T1V2W0.7
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE		T1V2T0.7
C4HN-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-
3-SULFANYLPROPANAMIDE		A,B2DOO0.71
DIZ(4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-
7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-
4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID		A,B1T4E0.74
LS53-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-
2-OXO-2,3-DIHYDRO-1H-INDOLE		A1KE90.72
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE		A1EKO0.84
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE		A1EL30.84
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE		A1KE50.75
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE		A1ZFK0.7
BL14-chloro-N-[(2S)-2-methyl-2,3-dihydro-
1H-indol-1-yl]-3-sulfamoylbenzamide		A3BL10.75
AZX4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-
2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-
N,N-DIMETHYLBENZAMIDE		A2Q8G0.75
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION		L25C80.71
DNSN~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-
L-LYSINE		H1WZ10.81
3BN3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-
(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-
5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE		A2B8V0.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.71
GSV2-(5-chlorothiophen-2-yl)-N-{(3S)-
1-[3-fluoro-2'-(methylsulfonyl)biphenyl-
4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide		A2VH60.71
8851-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-
L-PROLINE		A,B2GC80.77
744(3S)-N-(5-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE		A2H7N0.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.75
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID		A,B1Q4L0.71
FXI1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-
N-[3-fluoro-2'-(methylsulfonyl)biphenyl-
4-yl]cyclopropanecarboxamide		A2Q1J0.71
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A1SLN0.73
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A2SRT0.73
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE		A3BG80.73
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.71
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID		A2F700.71
IN7[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
ACETIC ACID		A1B8Y0.77