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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01333479

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
A8BA1ODC0.74
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE
A2GJB0.7
DEQDEQUALINIUMA,B,D,E1JT60.71
DEQDEQUALINIUMA,B,D,E3BR20.71
DEQDEQUALINIUMA1OYD0.71
DEQDEQUALINIUMA,B,D,E3BT90.71
DEQDEQUALINIUMA,B,D,E3BTJ0.71
DEQDEQUALINIUMA,B,D,E3BR10.71
THATACRINEA,B2AOW0.71
THATACRINEA,B,C,D,E,F1MX10.71
THATACRINEA,B2AOX0.71
THATACRINEA1ACJ0.71
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE
A2CMF0.71
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.71
1MRN-METHYLANILINEX2OTZ0.73
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.75
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.7
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.7
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.7
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.7
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.7
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.7
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.74
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.81
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.71
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.71
264(phenylamino)acetonitrileA2RBN0.76
PRY2-PROPYL-ANILINEA1OWY0.73
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE
A2GYX0.7
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
PL01-phenylguanidineA2O8W0.71
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.7
PRLPROFLAVINH,I1BCU0.72
PRLPROFLAVINA,B,D,E1QVT0.72
PRLPROFLAVINA,B2KD40.72
PRLPROFLAVINA1QVU0.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.73
PBZP-AMINO BENZAMIDINEA1RFN0.73
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.73
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.73
PBZP-AMINO BENZAMIDINEA1FIZ0.73
PBZP-AMINO BENZAMIDINEA1FIW0.73
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.73
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE
A2CKM0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.82
BSU1,3-DIPHENYLUREAA3E850.73
BSU1,3-DIPHENYLUREAA2ZJF0.73
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.75
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.73
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.83
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.83
BRNBERENILA,B268D0.72
BRNBERENILA,B1D630.72
BRNBERENILA,D,E2GBY0.72
BRNBERENILA2DBE0.72
BRNBERENILA2GVR0.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.71
MGRMALACHITE GREENA,B3BQZ0.85
MGRMALACHITE GREENA1Q8N0.85
MGRMALACHITE GREENA,B3BR00.85
MGRMALACHITE GREENA,D,E3BTL0.85
MGRMALACHITE GREENA,B,D,E3BTC0.85
MGRMALACHITE GREENA,B,D,E1JUP0.85
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.76
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.74
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.73
5CYN,N'-(dipropyl)-tetramethylindodicarbocyanineC3BEP0.7
IDMINDOLINEA,B3CEP0.78
IDMINDOLINEA1AEK0.78
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
BHTN-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PHENYL}METHYLENE)CYCLOHEXA-
2,5-DIEN-1-YLIDENE]-4-SULFOBENZENAMINIUM
A2ZJO0.7
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.7
NYLN-ALLYL-ANILINEA1OVK0.77
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.72
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.79
CVICRYSTAL VIOLETA,B,D,E1JTX0.85
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.73
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
34A3,4-DIMETHYLANILINEA1L4K0.71
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.72
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.72
DZP7-CHLORO-1-METHYL-5-PHENYL-1,3-
DIHYDRO-2H-1,4-BENZODIAZEPIN-2-
ONE
A,B2BXF0.7