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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02777750

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LS53-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-
2-OXO-2,3-DIHYDRO-1H-INDOLE		A1KE90.75
H1NN-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-
1-YLMETHYL)PHENYL]IMINO}METHYL)-
2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE		A,B2BFY0.73
DNSN~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-
L-LYSINE		H1WZ10.77
FXI1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-
N-[3-fluoro-2'-(methylsulfonyl)biphenyl-
4-yl]cyclopropanecarboxamide		A2Q1J0.75
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID		A2F700.74
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE		A1RAR0.86
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE		A1RAS0.86
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.74
MC2N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-
L-ARIGNINAMIDE		A1T9Y0.74
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE		A5TLN0.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.71
3673-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-
1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE		A1ZRK0.7
GSV2-(5-chlorothiophen-2-yl)-N-{(3S)-
1-[3-fluoro-2'-(methylsulfonyl)biphenyl-
4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide		A2VH60.7
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B3CFN0.77
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B2ANS0.77
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1OW40.77
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA1EYN0.77
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1TXC0.77
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		U1W120.73
ENT3(R)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER		A2F6Y0.71
N3BN-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-
3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE		A1YSI0.7
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		A2QZL0.76
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.7
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.75
TF2(N-{4-[(ETHYLANILINO)SULFONYL]-
2-METHYLPHENYL}-3,3,3-TRIFLUORO-
2-HYDROXY-2-METHYLPROPANAMIDE		A2BU60.8
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER		A2FOU0.77
IN7[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
ACETIC ACID		A1B8Y0.79
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE		A2CMA0.7
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE		A1EKO0.81
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE		A1EL30.81
QN2N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-
(4-iodobenzyl)benzenesulfonamide]		A,B2QNP0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE		A2QJU0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE		A2QB40.7
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid		A,B3DY60.72
CRIA,B1VKG0.72
I52N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-
PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-
SULFAMOYL]-4-PENTYL-BENZAMIDE		A1HOV0.75
SM1N-(BENZYLSULFONYL)-D-SERYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BENZYL)-
L-ALANINAMIDE		U1W130.73
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.72
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.7
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE		A1ZFK0.78
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
G0GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-
BENZYLBENZENESULFONAMIDE)		A,B2PQZ0.73
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.7
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE		A2BGE0.71
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2ONY0.72
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2ONZ0.72
DBRADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
BUTYL-AMIDE		A1RF90.79
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE		A2HVC0.71
A00N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-
6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-
beta-phenyl-L-phenylalaninamide		A,B2QMP0.76
NFTN-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-
(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-
TRIFLUOROETHYL}-L-LEUCINAMIDE		A1VSN0.75
C4HN-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-
3-SULFANYLPROPANAMIDE		A,B2DOO0.85
198R-BICALUTAMIDEA1Z950.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.73
DOE(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-
ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-
N,N',N'',N'''-TETRAACETATE		A,B,C,D1NC20.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B3GEY0.76
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A3CE00.76
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B1XK90.76
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A2Q6M0.76
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B,C,D,E,F1ZM90.76
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE		A1KE50.78
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE		A,B1AGW0.71
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine		A,B3CZR0.77
TK42-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACIDH,L1C5C0.79
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline		H1ETR0.72
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)		A,B2R430.78
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)		A,B2PWC0.78
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)		A,B2R3W0.78
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]		B3BGB0.75
DSOADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
OCTYL-AMIDE		A1LWL0.79
DSOADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
OCTYL-AMIDE		A1RE90.79
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.77
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.8
LJHN,N'-(iminodiethane-2,1-diyl)bis(4-
amino-N-benzylbenzenesulfonamide)		A,B3BGC0.81
1C23(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER		A2F6T0.71
UN5{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-
PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-7-YL}-SULFAMIC ACID		A2F6Z0.75