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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01293799

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER
A2FOV0.79
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER
A,B2FOY0.79
S2DN-BENZOYL-D-ALANINEA,B2JCI0.71
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9O0.78
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9P0.78
BFN5-(acetylamino)-2,6-anhydro-3,5,9-
trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]-
D-arabino-L-galacto-nononic acid
A3B690.7
SUB3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PROPIONIC ACID ETHYL ESTER
A1J4H0.72
TP4N-[4-[[GLUTAMIC ACID]-CARBONYL]-
BENZENE-SULFONYL-D-PROLINYL]-3-
AMINO-PROPANOIC ACID
A,B1F4G0.77
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.71
F68N-{[(4-methylphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QLM0.72
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.8
BZDA1K060.72
BZDA1K080.72
BZDA2QNB0.72
SEI1-{3-METHYL-2-[4-(MORPHOLINE-4-
CARBONYL)-BENZOYLAMINO]-BUTYRYL}-
PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-
PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-
AMIDE
A1B0F0.73
SEI1-{3-METHYL-2-[4-(MORPHOLINE-4-
CARBONYL)-BENZOYLAMINO]-BUTYRYL}-
PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-
PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-
AMIDE
A1B0E0.73
1603-(3-{2-[(5-METHANESULFONYL-THIOPHENE-
2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}-
BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID
A,B1NMQ0.73
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE
A2CMA0.73
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9Q0.78
MUWN-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-
6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-
BETA-PHENYL-L-PHENYLALANINAMIDE
A,B2Q3K0.72
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE
T1V2P0.72
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE
T1V2O0.72
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE
T1V2Q0.72
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE
T1V2R0.72
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE
T1V2W0.72
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE
T1V2T0.72
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.7
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER
A2FOU0.7
SC7N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-
YL]-2-HYDROXYETHYL}-5-METHYL-N,N-
DIPROPYLISOPHTHALAMIDE
A,B2QP80.71
MZ2(2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-
3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-
4,4,4-TRIFLUORO-3-METHYLBUT-2-ENAMIDE
A,B2QHZ0.7
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G480.78
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G530.78
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9N0.78
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.73
QN14,4'-[(3S,4S)-pyrrolidine-3,4-diylbis({[4-
(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide
A,B2QNN0.72
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.84
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.78
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.78
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G4J0.77
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G540.77
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.76
B17{1-[4-(AMINOSULFONYL)PHENYL]-11-
[(CARBOXY-KAPPAO)METHYL]-1-OXO-
5,8-DIOXA-2,11-DIAZATRIDECAN-13-
OATO(2-)-KAPPAO~13~}COPPER
A2FOS0.84
VG3N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(pentylsulfonyl)benzamide
A2VIY0.77
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.82
EG2AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNX0.89
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine
A2ZGA0.78
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine
A,B3CKT0.78
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate
A,C,D,E,G,P,
Q,R,W
3CWB0.72
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.72
TP34-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-
SULFONYL-D-PROLINE
A,B1F4F0.8
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.73
EG3PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDEA1CNY0.84
I52N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-
PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-
SULFAMOYL]-4-PENTYL-BENZAMIDE
A1HOV0.71
B15[2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2-
)-KAPPAO]COPPER
A2FOQ0.79
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.78
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEB2R380.74
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEA,B2PWR0.74
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEB2R3T0.74
OTGORTHO-TOLUOYLGLUCOSAMINEA2YHX0.71
C90N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-
4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide
A2JT20.7
EG1AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNW0.87
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.77
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9M0.78
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE
A2Q1B0.7
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE
A2Q380.7
TZTSOBLIDOTINA,B,C,D3E220.71
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G460.78
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G520.78