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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01983129

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.79
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
A8BA1ODC0.73
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.72
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.77
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.82
CVICRYSTAL VIOLETA,B,D,E1JTX0.76
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.73
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.7
IDMINDOLINEA,B3CEP0.76
IDMINDOLINEA1AEK0.76
OSPSULTHIAMEA2Q1Q0.75
IN7[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
ACETIC ACID
A1B8Y0.71
PRY2-PROPYL-ANILINEA1OWY0.73
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.75
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.75
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.72
MGRMALACHITE GREENA,B3BQZ0.76
MGRMALACHITE GREENA1Q8N0.76
MGRMALACHITE GREENA,B3BR00.76
MGRMALACHITE GREENA,D,E3BTL0.76
MGRMALACHITE GREENA,B,D,E3BTC0.76
MGRMALACHITE GREENA,B,D,E1JUP0.76
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.78
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.78
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.77
MX5{1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-
YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
B,I2C2Z0.7
NYLN-ALLYL-ANILINEA1OVK0.73
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.85
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.71
264(phenylamino)acetonitrileA2RBN0.73
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.71
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.74
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.74
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.73
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.73
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.8
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.7
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine
A,B3CZR0.75
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A,B1WRK0.72
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A1CTR0.72
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A,B,C,D,E,F1WRL0.72
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A1A290.72
TFP10-[3-(4-METHYL-PIPERAZIN-1-YL)-
PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE
A1LIN0.72
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.75
DPKDEPRENYLA,B2BYB0.7
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.7
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.71
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.7
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.77
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.77
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.76
LJHN,N'-(iminodiethane-2,1-diyl)bis(4-
amino-N-benzylbenzenesulfonamide)
A,B3BGC0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74
1MRN-METHYLANILINEX2OTZ0.71