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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03054978

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.75
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.75
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.84
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.84
ISOPARA-ISOPROPYLANILINEA1BMA0.75
ISOPARA-ISOPROPYLANILINEA,B1ELC0.75
ISOPARA-ISOPROPYLANILINEA,B1ELB0.75
ISOPARA-ISOPROPYLANILINEA,B1ELA0.75
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
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.7
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.74
ANCANTHRACEN-1-YLAMINEA,B1GT10.72
ANCANTHRACEN-1-YLAMINEA,B1HN20.72
1MRN-METHYLANILINEX2OTZ0.75
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.8
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
34A3,4-DIMETHYLANILINEA1L4K0.73
5CYN,N'-(dipropyl)-tetramethylindodicarbocyanineC3BEP0.71
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.74
A8BA1ODC0.75
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.74
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.76
PRY2-PROPYL-ANILINEA1OWY0.75
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.73
PYQPYROQUILONA1JA90.73
PYQPYROQUILONA,B,C,D1G0O0.73
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.82
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
271N-methyl-1-phenylmethanamineX2RBT0.71
9AP9-AMINOPHENANTHRENEA1EGY0.73
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.79
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.86
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
264(phenylamino)acetonitrileA2RBN0.75
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G8T0.7
2MI2-METHYL-1H-INDOLEA2PIO0.71
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.73
IDMINDOLINEA,B3CEP0.92
IDMINDOLINEA1AEK0.92
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.71
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.74
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.74
MGRMALACHITE GREENA,B3BQZ0.75
MGRMALACHITE GREENA1Q8N0.75
MGRMALACHITE GREENA,B3BR00.75
MGRMALACHITE GREENA,D,E3BTL0.75
MGRMALACHITE GREENA,B,D,E3BTC0.75
MGRMALACHITE GREENA,B,D,E1JUP0.75
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.72
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.72
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.72
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.7
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.72
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.72
NYLN-ALLYL-ANILINEA1OVK0.77
CVICRYSTAL VIOLETA,B,D,E1JTX0.75
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
A1KE50.72