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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00584100

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PFM1-AMINO-7-(2-METHYL-3-OXIDO-5-((PHOSPHONOXY)METHYL)-
4-PYRIDOXAL-5-OXO-6-HEPTENATE		A,B,C2OAT0.71
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3G0.73
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3E0.73
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		H,I1O2G0.73
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		B1O5A0.73
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3F0.73
R96N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH70.7
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE		A1GI60.73
P3D(4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-
5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2PLK0.72
6EA(1S)-1-(1H-INDOL-3-YLMETHYL)-2-
(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-
5-YLOXY)-EHYLAMINE		E2F7Z0.74
GK14-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-
7-yl}-1,3-thiazole-2-carbaldehyde		A2ZAZ0.72
SS3(2S)-1-{[5-(3-METHYL-1H-INDAZOL-
5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-
2-AMINE		A2UZT0.71
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.84
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.71
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.75
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE		A,B,C1O6H0.7
4HT4-HYDROXYTRYPTOPHANH,L1RU90.74
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.74
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.74
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.74
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C1KQG0.76
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,D,E,F2VR00.76
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,M,N,O,P1KF60.76
IN5{1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-
METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-
ETHYL}-PHOSPHONIC ACID		A,B2VD90.71
IN5{1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-
METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-
ETHYL}-PHOSPHONIC ACID		A,B1BD00.71
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.83
HFS1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINEE2ERZ0.71
HFS1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINEA,B2ETK0.71
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.7
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.7
IHX3-[3-(4-methylpiperazin-1-yl)-7-
(trifluoromethyl)quinoxalin-5-yl]phenol		A,B3F660.74
PY42-[O-PHOSPHONOPYRIDOXYL]-AMINO-
BUTYRIC ACID		A1CQ60.7
PY42-[O-PHOSPHONOPYRIDOXYL]-AMINO-
BUTYRIC ACID		A1YNU0.7
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.76
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.76
KAMN-[7-KETO-8-AMINOPELARGONIC ACID]-
[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YL-METHANE]		A1DJ90.7
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.74
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.74
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1MDO0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2YRI0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D,E,F2EJ00.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D,E,F3FZ60.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D2R2N0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1ZC90.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D2ZC00.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1AMR0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QB30.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1KTA0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1SZU0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1UU10.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2Q7W0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2GSA0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1YIY0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B3E2Y0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2HOZ0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1FG70.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B3GSB0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QA30.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D,E,F3BWN0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1SZK0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D2F8J0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2AAT0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2CJG0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QBT0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1AMS0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2E7U0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1A0G0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2C810.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C2ZSM0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1AIB0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B3E2Z0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1BKG0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B2FNU0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1AMQ0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1AIC0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2EPJ0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2QB20.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C,D1SZS0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA1W7N0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA2ZSL0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA3BS80.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1UU20.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1XQL0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B,C3CQ50.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B9AAT0.71
PMP4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATEA,B1AIA0.71
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.71
0AF7-hydroxy-L-tryptophanL1MAE0.76
0AF7-hydroxy-L-tryptophanL1MAF0.76
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH40.72
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH90.72
P3T(4-{[(4-AMINOBUTYL)AMINO]METHYL}-
5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2PLJ0.73
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.7
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE		A1DX40.71
FLDBIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-
1,6-DIAMINE		A,B154D0.7
GGVB3GGV0.7
QUNQUINACRINEA,B1JQE0.73
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.73
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T		2VUM0.73
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.73
BMSA,B1DKF0.72
P13N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-
5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE		B1UTS0.73
SS5(2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-
3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		A2UZV0.71
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		H1O5E0.71
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		B1GJ70.71
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		H,I1GJ40.71
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		A1GJ60.71
ELP(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID		A1M0P0.74
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.73
LI43-(1-NAPHTHYLMETHOXY)PYRIDIN-2-
AMINE		A1WBW0.71
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.76
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL		A1RFT0.74
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL		A,B2Z9V0.74
Q22(4aS)-5-[(2,4-diaminopteridin-6-
yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-
8-ol		A3D800.71
NPLN-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-
5-PHOSPHATE		A1SPA0.71
NPLN-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-
5-PHOSPHATE		A1ASC0.71
PP3ALANYL-PYRIDOXAL-5'-PHOSPHATEA1C9C0.7
PP3ALANYL-PYRIDOXAL-5'-PHOSPHATEA,B1L6F0.7
PP3ALANYL-PYRIDOXAL-5'-PHOSPHATEA,B,H,L1WC70.7
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.74
SROSEROTONINA,B3BRN0.78
SROSEROTONINA2QEH0.78
IP7N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-
2-YLMETHOXY)BENZYL]PYRIDINE-2,3-
DIAMINE		A2OHU0.72
PPG4-(2-AMINO-ETHOXY)-2-[(3-HYDROXY-
2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-
4-YLMETHYL)-AMINO]-BUT-3-ENOIC ACID		A,B1CL20.7
PPG4-(2-AMINO-ETHOXY)-2-[(3-HYDROXY-
2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-
4-YLMETHYL)-AMINO]-BUT-3-ENOIC ACID		A,B,C,D,E,F,
G,H		1C7O0.7
PPG4-(2-AMINO-ETHOXY)-2-[(3-HYDROXY-
2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-
4-YLMETHYL)-AMINO]-BUT-3-ENOIC ACID		A1M7Y0.7
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE		A2FVJ0.71
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA		H2FLR0.79
3LG(5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-
6-OXOPIPERAZIN-2-YL]METHOXY}-1H-
INDOL-1-YL)ACETIC ACID		B2G260.71
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE		E2F7X0.75
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.7
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.7
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.7
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL		A,B2AOU0.82
2EA(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-
6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE		E2F7E0.77
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A,B2PSJ0.71
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A2F8P0.71
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A1S360.71
1212-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I,L1GHY0.71
R94N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-
1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-
3-YL)ISONICOTINAMIDE		A1XH60.72
PDA2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID		A2Q3D0.7
PDA2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID		A,B1ELU0.7
TPLTRYPTOPHANOLA1EE70.71
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G190.71
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G1M0.71
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		1MG30.75
TRWTRW3-(2-AMINO-3-HYDROXY-PROPYL)-
6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-
INDOL-7-OL		A,B,C1PBY0.75
ASEN-ACETYL SEROTONINA1NAS0.75
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium		A3GSY0.74
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE		A,B2IOK0.71
3ID3H-INDOLE-5,6-DIOLA1F9B0.74
3ID3H-INDOLE-5,6-DIOLA1OYO0.74
PDDN-(5'-PHOSPHOPYRIDOXYL)-D-ALANINEA,B3DAA0.7
PDDN-(5'-PHOSPHOPYRIDOXYL)-D-ALANINEA2ZPU0.7
PDDN-(5'-PHOSPHOPYRIDOXYL)-D-ALANINEA,B1L6G0.7
PDDN-(5'-PHOSPHOPYRIDOXYL)-D-ALANINEB,H,L2BMK0.7
9IPN~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHS0.71
PYXS-[S-THIOPYRIDOXAMINYL]CYSTEINEA,B1A2D0.72
33P{3-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-
PROPYL}-PHOSPHONIC ACID		A1LC80.72
R55N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH80.7
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.76
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.76