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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01572078

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SG13-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-
BENZENESULFONAMIDE		A1KWQ0.71
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE		A5TLN0.72
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE		A,B1RXH0.75
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE		A,B1I9H0.75
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE		A,B2FHL0.75
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE		A,B1RXK0.75
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE		A,B2OFB0.75
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE		A,B1IJ80.75
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE		A,B2OF80.75
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE		A,B,C,D1RXJ0.75
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE		X,Y2FHN0.75
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE		H,I1YPM0.76
LI04-(4-BENZYL-4-METHOXYPIPERIDIN-
1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-
3-NITROPHENYL)SULFONYL]BENZAMIDE		A2O2M0.75
LI04-(4-BENZYL-4-METHOXYPIPERIDIN-
1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-
3-NITROPHENYL)SULFONYL]BENZAMIDE		A2O2F0.75
N3BN-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-
3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE		A1YSI0.78
ME15-CHLORO-N-(2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-
2-CARBOXAMIDE		A2P930.74
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1XI20.75
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1ZX10.75
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1IDT0.75
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B2BZS0.75
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER		A2FOU0.72
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE		A,B,C2FDP0.71
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE		A2CMA0.7
CRIA,B1VKG0.72
TSNTRICHOSTATIN AA,B1T640.71
TSNTRICHOSTATIN AA,B1C3R0.71
TSNTRICHOSTATIN AA,B,C3F0R0.71
TSNTRICHOSTATIN AA,B,C3C100.71
SN25-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-
DINTRO-BENZAMIDE		A,B1OO60.73
ME55-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-
2-CARBOXAMIDE		A2P950.73
IXSN-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-
1-methyl-2-oxoethyl]amino}ethyl]-
N'-[(1R)-1-(4-fluorophenyl)ethyl]-
5-[methyl(methylsulfonyl)amino]isophthalamide		A2QZL0.73
BEL2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-
N-(2',3'-DIOXOPROPYL)BENZAMIDE		A,B1OON0.73
LIUN-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-
3-nitrophenyl)sulfonyl]-4-(4,4-
dimethylpiperidin-1-yl)benzamide		A2O220.82
23IN-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-
5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-
2-METHYLPROPYL}AMINO)-4-METHYL-
5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE		A,B,C,D2P4J0.7
N3C4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-
1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-
1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-
3-NITROPHENYL]SULFONYL}BENZAMIDE		A,B2YXJ0.76
4EB4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-
N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-
3-NITROBENZENESULFONAMIDE		A1YSX0.76
I52N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-
PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-
SULFAMOYL]-4-PENTYL-BENZAMIDE		A1HOV0.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B3GEY0.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A3CE00.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B1XK90.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A2Q6M0.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B,C,D,E,F1ZM90.71
347TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-
4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-
1-CARBOXYLATE		A,B,C,D2PJT0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.72
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.72
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.72
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.72
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.72
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.72
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.73
LIW4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-
1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-
3-NITROPHENYL)SULFONYL]BENZAMIDE		A2O2N0.79
FRY(2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-
2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-
3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-
5-CARBOXAMIDE		A,B2IEG0.71