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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02326947

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AM72-benzyl-5-(3-fluoro-4-{[6-methoxy-
7-(3-morpholin-4-ylpropoxy)quinolin-
4-yl]oxy}phenyl)-3-methylpyrimidin-
4(3H)-one
A,B2RFN0.7
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID
A1B9I0.72
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUK0.71
BMSA,B1DKF0.73
I05(3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-
3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-
3-YL}-ISONICOTINAMIDE
A1VEB0.75
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH40.73
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH90.73
L92(2S)-3-{4-[3-(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)PROPYL]PHENYL}-
2-(1H-PYRROL-1-YL)PROPANOIC ACID
A2Q8S0.72
I01(4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY-
BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE-
4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER
A1SVE0.76
3LG(5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-
6-OXOPIPERAZIN-2-YL]METHOXY}-1H-
INDOL-1-YL)ACETIC ACID
B2G260.7
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.71
EHA(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-
1H-INDOL-1-YL)ACETIC ACID
A2F4B0.75
6436-(4-{[3-(3,5-dichloropyridin-4-
yl)-5-(1-methylethyl)isoxazol-4-
yl]methoxy}-2-methylphenyl)-1-methyl-
1H-indole-3-carboxylic acid
A3FXV0.72
0011-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY-
PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID 4-
PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)-
BUTYL ESTER
A,B,D1J4R0.72
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.72
858C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCINA,D1QPF0.73
887N-cyclopropyl-6-[(6,7-dimethoxyquinolin-
4-yl)oxy]naphthalene-1-carboxamide
A,B3B8R0.71
I04N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-
3-METHOXY-BENZOYL)-BENZOYLAMINO]-
AZEPAN-3-YL}ISONICOTINAMIDE
A1SVG0.71
R96N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH70.73
3EA2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-
6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID
A,B2ATH0.7
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.7
SYB4-[4-(DIMETHYLAMINO)-N-METHYL-L-
PHENYLALANINE]-5-[(2S,5R)-5-[[[(3S)-
1-AZABICYCLO-[2.2.2]OCT-3-YL]THIO]METHYL]-
4-OXO-2-PIPERIDINECARBOXYLIC ACID]VIRGINIAMYCIN
A,B2Z2P0.75
SYB4-[4-(DIMETHYLAMINO)-N-METHYL-L-
PHENYLALANINE]-5-[(2S,5R)-5-[[[(3S)-
1-AZABICYCLO-[2.2.2]OCT-3-YL]THIO]METHYL]-
4-OXO-2-PIPERIDINECARBOXYLIC ACID]VIRGINIAMYCIN
0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
1YJW0.75
SYB4-[4-(DIMETHYLAMINO)-N-METHYL-L-
PHENYLALANINE]-5-[(2S,5R)-5-[[[(3S)-
1-AZABICYCLO-[2.2.2]OCT-3-YL]THIO]METHYL]-
4-OXO-2-PIPERIDINECARBOXYLIC ACID]VIRGINIAMYCIN
01SM10.75
TTC(S)-10-[(DIMETHYLAMINO)METHYL]-
4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-
B]-QUINOLINE-3,14(4H,12H)-DIONE
A,C1RR80.71
TTC(S)-10-[(DIMETHYLAMINO)METHYL]-
4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-
B]-QUINOLINE-3,14(4H,12H)-DIONE
A,B1RRJ0.71
TTC(S)-10-[(DIMETHYLAMINO)METHYL]-
4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-
B]-QUINOLINE-3,14(4H,12H)-DIONE
A,C,D1K4T0.71
4HT4-HYDROXYTRYPTOPHANH,L1RU90.7
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.7
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.7
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.7
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
QNDQUINALDIC ACIDA,B1IDA0.71
3076,7-DIMETHYL-3-[(METHYL{2-[METHYL({1-
[3-(TRIFLUOROMETHYL)PHENYL]-1H-
INDOL-3-YL}METHYL)AMINO]ETHYL}AMINO)METHYL]-
4H-CHROMEN-4-ONE
A,C2AZ50.72
TTG2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-
8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-
INDOLIZINO[1,2-B]QUINOLIN-7-YL)-
2-HYDROXY-BUTYRIC ACID
A,B1RRJ0.7
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,D1K4T0.7
TTG2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-
8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-
INDOLIZINO[1,2-B]QUINOLIN-7-YL)-
2-HYDROXY-BUTYRIC ACID
A,C1RR80.7
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.71
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.77
BRFA1UUO0.72
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide
A,B,C,D3D3E0.71
642(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-
4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-
1-carboxylic acid
A,B3EWJ0.71
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE
A,B2DXS0.73
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.7
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE
A,B1I300.71
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.73
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYN0.75
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYK0.75
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A2QYL0.75
3CS3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-
IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-
1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID
A,B,C,D,E,F2Q7R0.73
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
A2WEZ0.71
SAS2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACIDA,B13GS0.71
DRD2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-
NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-
YL)OXY]-2-METHYLPROPANOIC ACID
A2HWR0.72
CP0A1U650.71
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE
A2FVJ0.71
R55N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH80.73
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.73
587C32-O-(1-METHYL-INDOL-5-YL) 18-
HYDROXY-ASCOMYCIN
A,C1QPL0.73
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.74
R94N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-
1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-
3-YL)ISONICOTINAMIDE
A1XH60.75
DRY[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-
1H-INDOL-5-YL)OXY]ACETIC ACID
A2HWQ0.73
2EA(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-
6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE
E2F7E0.72
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium
A3GSY0.73
I08(3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-
6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-
VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE
A1SVH0.72
VRSVIRGINIAMYCIN S10,1,2,3,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
1YIT0.76
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.76
YPA(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-
PHENYL)-2-ETHOXY-PROPIONIC ACID
A1KNU0.7