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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03175721

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.74
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.74
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL		A,B2QAB0.74
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.74
SROSEROTONINA,B3BRN0.76
SROSEROTONINA2QEH0.76
SS43-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.] PYRAZOLE		E2UZW0.7
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL		A1HBJ0.71
P3D(4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-
5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2PLK0.7
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL		A1RFT0.72
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL		A,B2Z9V0.72
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE		A,B,C1O6H0.73
9IPN~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHS0.72
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.71
6EA(1S)-1-(1H-INDOL-3-YLMETHYL)-2-
(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-
5-YLOXY)-EHYLAMINE		E2F7Z0.72
FLDBIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-
1,6-DIAMINE		A,B154D0.7
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE		A2FVJ0.74
IHX3-[3-(4-methylpiperazin-1-yl)-7-
(trifluoromethyl)quinoxalin-5-yl]phenol		A,B3F660.78
QUNQUINACRINEA,B1JQE0.73
2PY(2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-
YL]PROPAN-2-AMINE		E2OH00.7
ELP(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID		A1M0P0.75
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		A2JDS0.71
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		A2JDR0.71
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		A2JDV0.71
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		E2UZU0.71
VAR9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-
c]pyrimidin-4-ol		A,B,C,D3BHV0.7
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.71
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.79
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.71
Q22(4aS)-5-[(2,4-diaminopteridin-6-
yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-
8-ol		A3D800.76
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.72
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.72
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE		E2F7X0.74
MPM(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-METHYLPROPYLPHOSPHONIC ACID		A1M0O0.71
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.77
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.77
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA		H2FLR0.76
BERBERBERINEA3D6Y0.72
BERBERBERINEA,B,D,E1JUM0.72
BERBERBERINEA,B,D,E3BTI0.72
BERBERBERINEA2QVD0.72
DEQDEQUALINIUMA,B,D,E1JT60.7
DEQDEQUALINIUMA,B,D,E3BR20.7
DEQDEQUALINIUMA1OYD0.7
DEQDEQUALINIUMA,B,D,E3BT90.7
DEQDEQUALINIUMA,B,D,E3BTJ0.7
DEQDEQUALINIUMA,B,D,E3BR10.7
25310,11-dimethoxy-4-methyldibenzo[c,f]-
2,7-naphthyridine-3,6-diamine		A2R7B0.76
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium		A3GSY0.77
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C1KQG0.77
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,D,E,F2VR00.77
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,M,N,O,P1KF60.77
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL		A,B2AOU0.81
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B3GZC0.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A2GJ40.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A2GM90.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2IEG0.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2IEI0.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D,E,F3FZ80.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D,E,F1PMO0.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D,E,F3FSL0.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A2CFB0.71
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B,C,D3GZD0.71
SS5(2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-
3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		A2UZV0.73
PFJ6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-
2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE		A2OVY0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1MDO0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2YRI0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D,E,F2EJ00.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D,E,F3FZ60.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D2R2N0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1ZC90.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D2ZC00.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1AMR0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QB30.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1KTA0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1SZU0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1UU10.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2Q7W0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2GSA0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1YIY0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B3E2Y0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2HOZ0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1FG70.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B3GSB0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QA30.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D,E,F3BWN0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1SZK0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D2F8J0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2AAT0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2CJG0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QBT0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1AMS0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2E7U0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1A0G0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2C810.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C2ZSM0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1AIB0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B3E2Z0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1BKG0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2FNU0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1AMQ0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1AIC0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2EPJ0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QB20.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1SZS0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1W7N0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2ZSL0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA3BS80.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1UU20.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1XQL0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C3CQ50.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B9AAT0.7
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1AIA0.7
TRWTRW3-(2-AMINO-3-HYDROXY-PROPYL)-
6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-
INDOL-7-OL		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MG30.73
TRWTRW3-(2-AMINO-3-HYDROXY-PROPYL)-
6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-
INDOL-7-OL		A,B,C1PBY0.73
2EA(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-
6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE		E2F7E0.77
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.71
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.71
ASEN-ACETYL SEROTONINA1NAS0.74
EPC(1S)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID		A,B2VD90.7
EPC(1S)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID		A,B1FTX0.7
EPC(1S)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID		A1M0Q0.7
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.7
LI43-(1-NAPHTHYLMETHOXY)PYRIDIN-2-
AMINE		A1WBW0.7
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.87
0AF7-hydroxy-L-tryptophanL1MAE0.72
0AF7-hydroxy-L-tryptophanL1MAF0.72
SS3(2S)-1-{[5-(3-METHYL-1H-INDAZOL-
5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-
2-AMINE		A2UZT0.74
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.7
POF(4aS,4bR,10bS,12aS)-12a-methyl-
1,3-dioxo-2-(pyridin-3-ylmethyl)-
1,2,3,4,4a,4b,5,6,10b,11,12,12a-
dodecahydronaphtho[2,1-f]isoquinolin-
8-yl sulfamate		A3C7P0.71