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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00801283

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.73
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.74
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.74
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.75
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.75
SROSEROTONINA,B3BRN0.71
SROSEROTONINA2QEH0.71
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.75
ZYEN-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHOXYBENZYL)AMINO]PROPYL}-
1-ETHYL-4-(2-OXO-2,3-DIHYDRO-1H-
PYRROL-1-YL)-1H-INDOLE-6-CARBOXAMIDE		A2WEZ0.72
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA		H2FLR0.77
GK14-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-
7-yl}-1,3-thiazole-2-carbaldehyde		A2ZAZ0.7
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH40.75
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH90.75
LCSL-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE		A1D7U0.7
0AF7-hydroxy-L-tryptophanL1MAE0.71
0AF7-hydroxy-L-tryptophanL1MAF0.71
R96N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH70.73
4HT4-HYDROXYTRYPTOPHANH,L1RU90.7
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.7
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.7
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.7
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE		A,B2IOK0.7
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G190.72
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G1M0.72
541(2R)-N-HYDROXY-2-[(3S)-3-METHYL-
3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-
2-OXOPYRROLIDIN-1-YL]PROPANAMIDE		A,B2FV50.7
VRSVIRGINIAMYCIN S10,1,2,3,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		1YIT0.7
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.71
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL		A2CGV0.71
GGWmethyl [(1S,4S,5S,7S,10S)-4-benzyl-
1,10-di-tert-butyl-5-hydroxy-2,9,12-
trioxo-7-(4-pyridin-2-ylbenzyl)-
13-oxa-3,8,11-triazatetradec-1-
yl]carbamate		H3GGA0.71
QUNQUINACRINEA,B1JQE0.71
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE		A,B2DAA0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE		A,B,C,D2RJH0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE		A1D7S0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE		A,B1EPV0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE		A1I2L0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE		A,B1NIU0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE		A,B1VFS0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE		A,B1VFT0.7
DCSD-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE		A1MDZ0.7
R94N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-
1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-
3-YL)ISONICOTINAMIDE		A1XH60.74
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.73
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.73
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.73
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL		A,B2AOU0.79
R55N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH80.73
3LG(5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-
6-OXOPIPERAZIN-2-YL]METHOXY}-1H-
INDOL-1-YL)ACETIC ACID		B2G260.71
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.71
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.78
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
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.7
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.7
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.7
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C1KQG0.73
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,D,E,F2VR00.73
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,M,N,O,P1KF60.73
GGVB3GGV0.71
ASEN-ACETYL SEROTONINA1NAS0.75
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.73
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.73
BLP(5-HYDROXY-6-METHYL-4-((2-(2-(2-
NITROBENZAMIDO)ACETYL)HYDRAZINYL)METHYL)PYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE		A,B2GQN0.73
TTG2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-
8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-
INDOLIZINO[1,2-B]QUINOLIN-7-YL)-
2-HYDROXY-BUTYRIC ACID		A,B1RRJ0.71
TTG2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-
8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-
INDOLIZINO[1,2-B]QUINOLIN-7-YL)-
2-HYDROXY-BUTYRIC ACID		A,C,D1K4T0.71
TTG2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-
8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-
INDOLIZINO[1,2-B]QUINOLIN-7-YL)-
2-HYDROXY-BUTYRIC ACID		A,C1RR80.71