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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02199202

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE		A1ZFK0.76
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM		A1E3Q0.73
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.7
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.7
T5C2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-
5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-
2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-
1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-
5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM		B,H2JB60.75
T5C2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-
5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-
2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-
1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-
5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM		H2JB50.75
LJHN,N'-(iminodiethane-2,1-diyl)bis(4-
amino-N-benzylbenzenesulfonamide)		A,B3BGC0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE		A2QJU0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE		A2QB40.73
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.71
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2ONY0.71
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2ONZ0.71
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.89
DNSN~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-
L-LYSINE		H1WZ10.7
IN7[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
ACETIC ACID		A1B8Y0.76
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine		A,B,D3GQT0.71
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE		A2Q720.76
TK42-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACIDH,L1C5C0.77
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.71
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.71
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.78
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM		A1ZE80.72
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine		A,B3CZR0.76
444N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-
TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE		A1UPV0.71
444N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-
TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE		A,B2O9I0.71
444N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-
TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE		A,B,C,D1PQC0.71
444N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-
TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE		A,B1UHL0.71
444N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-
TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE		A1UPW0.71
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE		A,B1WRK0.7
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE		A1CTR0.7
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE		A,B,C,D,E,F1WRL0.7
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE		A1A290.7
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE		A1LIN0.7
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.78
OSPSULTHIAMEA2Q1Q0.76
C4HN-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-
3-SULFANYLPROPANAMIDE		A,B2DOO0.74
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE		A,B,C,D1TP70.76
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B3CFN0.79
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B2ANS0.79
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1OW40.79
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA1EYN0.79
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1TXC0.79
MGRMALACHITE GREENA,B3BQZ0.73
MGRMALACHITE GREENA1Q8N0.73
MGRMALACHITE GREENA,B3BR00.73
MGRMALACHITE GREENA,D,E3BTL0.73
MGRMALACHITE GREENA,B,D,E3BTC0.73
MGRMALACHITE GREENA,B,D,E1JUP0.73
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.89
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.89
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.89
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE		A1RAR0.79
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE		A1RAS0.79
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.77
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.82
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)		A,B2R430.72
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)		A,B2PWC0.72
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)		A,B2R3W0.72
BHTN-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PHENYL}METHYLENE)CYCLOHEXA-
2,5-DIEN-1-YLIDENE]-4-SULFOBENZENAMINIUM		A2ZJO0.72
CVICRYSTAL VIOLETA,B,D,E1JTX0.73
EBS3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO-
1,3-BENZOTHIAZOL-2(3H)-YLIDENE)HYDRAZINO]-
6-SULFO-3H-1,3-BENZOTHIAZOL-1-IUM		A1UVW0.72
EBS3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO-
1,3-BENZOTHIAZOL-2(3H)-YLIDENE)HYDRAZINO]-
6-SULFO-3H-1,3-BENZOTHIAZOL-1-IUM		A1OF00.72
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]		B3BGB0.73
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline		H1ETR0.78
TF2(N-{4-[(ETHYLANILINO)SULFONYL]-
2-METHYLPHENYL}-3,3,3-TRIFLUORO-
2-HYDROXY-2-METHYLPROPANAMIDE		A2BU60.75
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76