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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03866164

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MMB(2R,3E)-2-{4-[(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)METHOXY]BENZYL}-
3-(PROPOXYIMINO)BUTANOIC ACID
A,C2NPA0.78
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.71
310N-carbamimidoyl-2-[2-(2-chlorophenyl)-
5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-
1-yl]ethanamide
A2ZDZ0.72
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGF0.73
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGG0.73
1CD(13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-
PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-
1(24),2,4,6,17(25),18,20-HEPTAENE-
23,26-DIONE
A2DS10.71
EHA(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-
1H-INDOL-1-YL)ACETIC ACID
A2F4B0.73
NSI3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-
1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-
INDOLE-2-CARBOXAMIDE
A2HFP0.75
471N-((2S)-2-({(1Z)-1-METHYL-3-OXO-
3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-
1-ENYL}AMINO)-3-{4-[2-(5-METHYL-
2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE
A,B,C,D1KKQ0.81
3309-HYDROXY-6-(3-HYDROXYPROPYL)-4-
(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE
A2IO60.71
3HI(3R,5R)-7-[2-(4-fluorophenyl)-4-
[(2-hydroxyphenyl)carbamoyl]-5-
(1-methylethyl)-3-phenyl-1H-pyrrol-
1-yl]-3,5-dihydroxyheptanoic acid
B,C,D3CCT0.71
7833-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-5-METHOXY-1,1'-BIPHENYL-2-
OLATE
A1O2T0.71
DUO4-HYDROXY-2,8-DIMETHYL-1-OXO-6-
(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-
1,2,3,6,7,8-HEXAHYDRO-3,6-DIAZA-
AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
B107D0.71
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID
A1DB50.72
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
A,B2IOK0.73
MR62-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLEA,B2QGE0.85
541(2R)-N-HYDROXY-2-[(3S)-3-METHYL-
3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-
2-OXOPYRROLIDIN-1-YL]PROPANAMIDE
A,B2FV50.73
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE
A,B1I300.72
B3Cbenzyl [(1R)-1-({(2S,4R)-2-({(1S)-
5-amino-1-[(S)-1,3-benzoxazol-2-
yl(hydroxy)methyl]pentyl}carbamoyl)-
4-[(4-methylbenzyl)oxy]pyrrolidin-
1-yl}carbonyl)-3-phenylpropyl]carbamate
B3E0P0.81
337N-benzyl-1-[5-({5-tert-butyl-2-
methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-
2-methylphenyl]-1H-1,2,3-triazole-
4-carboxamide
A3CTQ0.72
FLXN-[(FURAN-2-YL)CARBONYL]-(S)-LEUCYL-
(R)-[1-AMINO-2(1H-INDOL-3-YL)ETHYL]-
PHOSPHONIC ACID
A4AIG0.71
W032,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-
PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]-
PHENOL
1,41QJY0.77
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
A2WEZ0.73
DSA4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-
1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-
3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
A1DSM0.71
DSA4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-
1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-
3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
B1DSA0.71
DRH(2S)-2-(4-{2-[1,3-BENZOXAZOL-2-
YL(HEPTYL)AMINO]ETHYL}PHENOXY)-
2-METHYLBUTANOIC ACID
A2I4P0.76
DRH(2S)-2-(4-{2-[1,3-BENZOXAZOL-2-
YL(HEPTYL)AMINO]ETHYL}PHENOXY)-
2-METHYLBUTANOIC ACID
A2I4Z0.76
DRJ(2R)-2-(4-{2-[1,3-BENZOXAZOL-2-
YL(HEPTYL)AMINO]ETHYL}PHENOXY)-
2-METHYLBUTANOIC ACID
A2I4J0.76
REW(2S,3S)-1-(4-METHOXYPHENYL)-3-(3-
(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-
4-OXOAZETIDINE-2-CARBOXYLIC ACID
A2REW0.8
L92(2S)-3-{4-[3-(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)PROPYL]PHENYL}-
2-(1H-PYRROL-1-YL)PROPANOIC ACID
A2Q8S0.75
FRL1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-
1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE
A1WXZ0.71
4266-[(Z)-AMINO(IMINO)METHYL]-N-[3-
(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE
A1OWI0.7
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.72
2052-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-
6-CARBOXYLIC ACID
A,B2F8I0.73
GNFN~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-
N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-
L-ALANINAMIDE
A,B2F1G0.79
240(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
A,B2Q590.73
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDV0.71
8935-CYANO-N-(2,5-DIMETHOXYBENZYL)-
6-ETHOXYPYRIDINE-2-CARBOXAMIDE
A,B2H960.71
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.7
A535-{5-[(S)-2-AMINO-3-(1H-INDOL-3-
YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-
(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-
1,3-DIHYDRO-INDOL-2-ONE
A2GHG0.75
7505-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-
2-CARBOXYLIC ACID ((S)-3-METHYL-
1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-
YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE
A,B1NL60.7
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
B1LPG0.76
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM
A1LQE0.76
DRY[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-
1H-INDOL-5-YL)OXY]ACETIC ACID
A2HWQ0.7
GW4N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-
3-{4-[2-(5-METHYL-2-PHENYL-1,3-
OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE
A,B2POB0.88
43A(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-
3-(1H-PYRROL-2-YLMETHYLENE)-1,3-
DIHYDRO-2H-INDOL-2-ONE
A2AYP0.71
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1RDT0.86
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1FM90.86
YPA(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-
PHENYL)-2-ETHOXY-PROPIONIC ACID
A1KNU0.73
6CAA2FLM0.7
VIN12-(2-hydroxyethyl)-2-(1-methylethoxy)-
13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-
c]carbazol-5(12H)-one
A3DTC0.75
B4Cbenzyl [(1S)-5-amino-1-{[(1S)-1-
({(1S)-5-amino-1-[(S)-1,3-benzoxazol-
2-yl(hydroxy)methyl]pentyl}carbamoyl)-
3-phenylpropyl]carbamoyl}pentyl]carbamate
B3E160.82
IM82-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1R)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE
P2OYE0.72
IMNINDOMETHACINA2BXM0.71
IMNINDOMETHACINA3FO70.71
IMNINDOMETHACINA,B,C,D1Z9H0.71
IMNINDOMETHACINA2BXQ0.71
IMNINDOMETHACINA,B,C,D4COX0.71
IMNINDOMETHACINA2ALT0.71
IMNINDOMETHACINA2OTH0.71
IMNINDOMETHACINA,B2DM60.71
IMNINDOMETHACINA1S2A0.71
IMNINDOMETHACINA2ZB80.71
IMNINDOMETHACINA3HWZ0.71
IMNINDOMETHACINA2BXK0.71
MR54-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOPHENOLA,B2QGD0.75
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.77
IMS2-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1S)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE
P2OYU0.72
5472,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-
B]PYRIDIN-4-AMINE
A2OF20.73
8IN[3-(1-BENZYL-3-CARBAMOYLMETHYL-
2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-
]-PHOSPHONIC ACID
A1DB40.72
4LGMETHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-
6-OXOPIPERAZIN-2-YL]METHOXY}-1H-
INDOL-1-YL)ACETATE
A,B2G270.71
208(2S)-3-(1-{[2-(2-CHLOROPHENYL)-
5-METHYL-1,3-OXAZOL-4-YL]METHYL}-
1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID
A2GTK0.7
BZCA1EFY0.72
3382-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-
BENZOOXAZOL-6-OL
A,B1U3R0.78
ZAA(5-{3-[2-(5-methyl-2-phenyl-1,3-
oxazol-4-yl)ethoxy]benzyl}-2-phenyl-
2H-1,2,3-triazol-4-yl)acetic acid
A3BC50.76
870N-[7-(3-AMINOPHENYL)-5-METHOXY-
1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE
A,D,H,L2FIX0.72
0412-(3-FLUORO-4-HYDROXYPHENYL)-7-
VINYL-1,3-BENZOXAZOL-5-OL
A,B1X7B0.77
887N-cyclopropyl-6-[(6,7-dimethoxyquinolin-
4-yl)oxy]naphthalene-1-carboxamide
A,B3B8R0.7
MBC2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
A2I2I0.73
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,C2AZ50.71
IOGN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-
1H-INDOL-3-YL]ACETAMIDE
A2IOG0.75
LIFN-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-
D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-
FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA
A1YWN0.71
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.7
V5X(2R)-N~8~-HYDROXY-2-{[(5-METHOXY-
2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}-
N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE
A,B2V5X0.71
44CA2FBR0.7
NVCN-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-
2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-
N-hydroxyformamide
A3E3U0.77
19B4-methyl-N-(3-morpholin-4-ylphenyl)-
3-(3-piperidin-4-yl-1,2-benzisoxazol-
6-yl)benzamide
A3E930.73
DSI4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-
8-METHYL-3,6,7,8-TETRAHYDRO-3,6-
DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
B1DSI0.74
5442-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-
3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-
4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1K740.82
5442-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-
3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-
4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,C,E,G1K7L0.82
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.7
241(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
A,B2Q5P0.73
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,F2Q7R0.72
615(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-
4-yl)methoxy]benzyl}cyclopropane-
1,2-dicarboxamide
A,B3E8R0.72
MR44-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOLA,B2QGC0.81
642(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-
4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-
1-carboxylic acid
A,B3EWJ0.7
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE
A,B2DXS0.8