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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01274988

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B3CFN0.78
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B2ANS0.78
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1OW40.78
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA1EYN0.78
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1TXC0.78
I52N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-
PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-
SULFAMOYL]-4-PENTYL-BENZAMIDE		A1HOV0.72
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE		A1ZFK0.76
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.71
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.8
FXI1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-
N-[3-fluoro-2'-(methylsulfonyl)biphenyl-
4-yl]cyclopropanecarboxamide		A2Q1J0.74
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.71
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.72
UN5{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-
PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-7-YL}-SULFAMIC ACID		A2F6Z0.76
FD4N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-
AMIDINO-L-PHENYLALANINYL)-4-ACETYL-
PIPERAZINE		A1K1M0.75
GSV2-(5-chlorothiophen-2-yl)-N-{(3S)-
1-[3-fluoro-2'-(methylsulfonyl)biphenyl-
4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide		A2VH60.7
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID		A2F700.73
DNSN~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-
L-LYSINE		H1WZ10.78
1C23(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER		A2F6T0.72
A00N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-
6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-
beta-phenyl-L-phenylalaninamide		A,B2QMP0.75
730(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-
1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-
3-OXOPROPYL)BENZIMIDAMIDE		A2GV60.71
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)		A,B2R430.76
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)		A,B2PWC0.76
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)		A,B2R3W0.76
FD3N-ALPHA-(2-NAPHTHYLSULFONYL)-3-
AMIDINO-L-PHENYLALANINE PIPERAZIDE		A1K1L0.74
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.72
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER		A2FOU0.77
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
MUWN-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-
6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-
BETA-PHENYL-L-PHENYLALANINAMIDE		A,B2Q3K0.7
SVRA3GAN0.71
SVRA,B2NYR0.71
SVRH2H9T0.71
SVRA,B1Y4L0.71
SVRA,B,C,E,F,G,H3BJW0.71
SVRA,B1Y8E0.71
SVRH3BF60.71
C4HN-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-
3-SULFANYLPROPANAMIDE		A,B2DOO0.87
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline		H1ETR0.71
SM1N-(BENZYLSULFONYL)-D-SERYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BENZYL)-
L-ALANINAMIDE		U1W130.73
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.79
GVR(2R)-N-hydroxy-3-naphthalen-2-yl-
2-[(naphthalen-2-ylsulfonyl)amino]propanamide		A,B,C2VES0.71
TF2(N-{4-[(ETHYLANILINO)SULFONYL]-
2-METHYLPHENYL}-3,3,3-TRIFLUORO-
2-HYDROXY-2-METHYLPROPANAMIDE		A2BU60.77
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE		A1RAR0.88
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE		A1RAS0.88
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide		A2QO80.7
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.74
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.74
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.74
TK42-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACIDH,L1C5C0.82
SL1N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-FORMYLBUTYL)-2-{(3R)-3-[(BENZYLSULFONYL)AMINO]-
2-OXO-5-PHENYL-2,3-DIHYDRO-1H-1,4-
BENZODIAZEPIN-1-YL}ACETAMIDE		U1W120.71
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		A2QZL0.75
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]		B3BGB0.72
DBRADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
BUTYL-AMIDE		A1RF90.81
NFTN-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-
(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-
TRIFLUOROETHYL}-L-LEUCINAMIDE		A1VSN0.75
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine		A,B3CZR0.73
3673-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-
1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE		A1ZRK0.71
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE		A1KE50.74
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
LJHN,N'-(iminodiethane-2,1-diyl)bis(4-
amino-N-benzylbenzenesulfonamide)		A,B3BGC0.79
MC2N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-
L-ARIGNINAMIDE		A1T9Y0.79
DSOADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
OCTYL-AMIDE		A1LWL0.81
DSOADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
OCTYL-AMIDE		A1RE90.81
LS53-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-
2-OXO-2,3-DIHYDRO-1H-INDOLE		A1KE90.71
MIDN==ALPHA==(2-NAPHTHYL-SULFONYL-
GLYCYL)-PARA-AMIDINOPHENYL-ALANYL-
PIPERIDINE		H1DWD0.75
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.76
FD2N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-
AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTER		A1K1J0.7
179N-[(naphthalen-2-ylamino)(oxo)acetyl]-
beta-D-glucopyranosylamine		A3CUT0.71
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide		A3E9S0.74
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE		A1EKO0.78
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE		A1EL30.78
376N-[(naphthalen-1-ylamino)(oxo)acetyl]-
beta-D-glucopyranosylamine		A3CUU0.7
IN7[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
ACETIC ACID		A1B8Y0.77
G0GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-
BENZYLBENZENESULFONAMIDE)		A,B2PQZ0.72
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2ONY0.73
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2ONZ0.73
ENT3(R)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER		A2F6Y0.72