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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01979255

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.74
DNSN~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-
L-LYSINE		H1WZ10.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE		A2QJU0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE		A2QB40.74
MPX4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDEA1ZH90.73
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE		A2POW0.7
LS53-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-
2-OXO-2,3-DIHYDRO-1H-INDOLE		A1KE90.73
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM		A1ZE80.74
SG21-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-
5-SULFONIC ACID AMIDE		A1KWR0.7
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.74
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]		B3BGB0.76
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.71
IN7[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
ACETIC ACID		A1B8Y0.82
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE		A,B,C,D2CKE0.72
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
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.72
G0GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-
BENZYLBENZENESULFONAMIDE)		A,B2PQZ0.71
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE		A1KE50.76
SANSULFANILAMIDEA1AJ00.73
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2ONY0.83
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2ONZ0.83
TK42-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACIDH,L1C5C0.72
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.77
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.75
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE		A1ZFK0.8
CYZCYCLOTHIAZIDEA,B,C1LBC0.75
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE		A2Q720.73
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine		A,B,D3GQT0.75
TF2(N-{4-[(ETHYLANILINO)SULFONYL]-
2-METHYLPHENYL}-3,3,3-TRIFLUORO-
2-HYDROXY-2-METHYLPROPANAMIDE		A2BU60.77
OSPSULTHIAMEA2Q1Q0.81
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE		A1RAR0.76
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE		A1RAS0.76
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE		A,B2G720.74
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE		A,B2OPB0.74
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline		H1ETR0.85
DBRADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
BUTYL-AMIDE		A1RF90.71
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.83
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE		A1EKO0.72
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE		A1EL30.72
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2G710.77
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.77
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.77
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.77
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE		A,B1WRK0.73
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE		A1CTR0.73
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE		A,B,C,D,E,F1WRL0.73
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE		A1A290.73
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE		A1LIN0.73
C4HN-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-
3-SULFANYLPROPANAMIDE		A,B2DOO0.77
DSOADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
OCTYL-AMIDE		A1LWL0.71
DSOADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
OCTYL-AMIDE		A1RE90.71
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.74
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
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.72
BHTN-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PHENYL}METHYLENE)CYCLOHEXA-
2,5-DIEN-1-YLIDENE]-4-SULFOBENZENAMINIUM		A2ZJO0.72
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE		A,B1HNN0.79
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.71
F83(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-
1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2OBF0.74
F83(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-
1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2G8N0.74
A8BA1ODC0.76
LJHN,N'-(iminodiethane-2,1-diyl)bis(4-
amino-N-benzylbenzenesulfonamide)		A,B3BGC0.81
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.74
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.71
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine		A,B3CZR0.78
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72