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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03048017

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.72
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.7
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.72
PYQPYROQUILONA1JA90.72
PYQPYROQUILONA,B,C,D1G0O0.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
A8BA1ODC0.72
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.73
PRY2-PROPYL-ANILINEA1OWY0.71
IDMINDOLINEA,B3CEP0.89
IDMINDOLINEA1AEK0.89
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.74
NYLN-ALLYL-ANILINEA1OVK0.75
264(phenylamino)acetonitrileA2RBN0.73
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.75
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.78
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.8
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.8
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.8
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.7
CVICRYSTAL VIOLETA,B,D,E1JTX0.7
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.71
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.7
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.72
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.72
MGRMALACHITE GREENA,B3BQZ0.7
MGRMALACHITE GREENA1Q8N0.7
MGRMALACHITE GREENA,B3BR00.7
MGRMALACHITE GREENA,D,E3BTL0.7
MGRMALACHITE GREENA,B,D,E3BTC0.7
MGRMALACHITE GREENA,B,D,E1JUP0.7
1MRN-METHYLANILINEX2OTZ0.71