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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01872085

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.73
BNFN-BENZYLFORMAMIDEA,B1U3U0.73
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.73
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.7
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
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
CVICRYSTAL VIOLETA,B,D,E1JTX0.71
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.73
A8BA1ODC0.72
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.76
PYQPYROQUILONA1JA90.84
PYQPYROQUILONA,B,C,D1G0O0.84
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
MGRMALACHITE GREENA,B3BQZ0.71
MGRMALACHITE GREENA1Q8N0.71
MGRMALACHITE GREENA,B3BR00.71
MGRMALACHITE GREENA,D,E3BTL0.71
MGRMALACHITE GREENA,B,D,E3BTC0.71
MGRMALACHITE GREENA,B,D,E1JUP0.71
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.7
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.73
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.77
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.79
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.75
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.78
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.78
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.77
MX5{1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-
YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
B,I2C2Z0.74