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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00277646

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2RLN-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN-
4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE-
4-CARBOXAMIDE
A2RL50.73
P13N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-
5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE
B1UTS0.72
4LGMETHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-
6-OXOPIPERAZIN-2-YL]METHOXY}-1H-
INDOL-1-YL)ACETATE
A,B2G270.72
PCH3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-
4-YLOXY)BUTAN-2-OL
I1E820.71
LIC3-(2-CHLOROBENZYL)-1-(2-{[(1S)-
2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-
4-YL)-1-(4-METHOXYPHENYL)UREA
A2GHM0.75
RO1(3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)-
3-({3-(METHYLSULFONYL)-N-[(PYRIDIN-
3-YLOXY)ACETYL]-L-VALYL}AMINO)-
2-OXO-4-PHENYLBUTYL]DECAHYDROISOQUINOLINE-
3-CARBOXAMIDE
A,B2F3K0.72
KNI(N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL-
METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE
A,B3FX50.72
KNI(N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL-
METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE
B1HPX0.72
KNI(N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL-
METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE
B2ZYE0.72
I1H3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-
4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN-
4-YL)METHYL]BENZAMIDE
B2BMG0.75
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.75
ROF3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE
A,B1XOQ0.73
ROF3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE
A,B1XMU0.73
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,D,U,X1FM60.71
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,B2PRG0.71
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A1ZGY0.71
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,B3CS80.71
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,D3DZY0.71
PIX4-(3-{[5-(trifluoromethyl)pyridin-
2-yl]oxy}benzyl)piperidine-1-carboxylic acid
A,B2WAP0.73
3LG(5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-
6-OXOPIPERAZIN-2-YL]METHOXY}-1H-
INDOL-1-YL)ACETIC ACID
B2G260.74
9IPN~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHS0.72
TCD3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-
2-YL)OXY]PHENOXY}PYRIDINE
A,B,C,D,E,F,
G,H
1XLS0.72
L11N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-
PHENYL]-3-FLUORO-
A1W830.8
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2JDO0.71
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2JDT0.71
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2C1A0.71
900N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-
4-yl)oxy]naphthalene-1-carboxamide
A,B3B8Q0.7
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.78
3IGN-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-
4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE
A,B2G1R0.71
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A,B,C,D2W0D0.71
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A3AYK0.71
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A,B1JIZ0.71
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A4AYK0.71
77A1-(5-CHLORO-2-METHOXYPHENYL)-3-
{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-
2-YL}UREA
A2E9P0.75
A2518-CHLORO-11,12,13,14-TETRAHYDRO-
1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-
2-ONE
A2E9U0.74
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDV0.71
QUNQUINACRINEA,B1JQE0.74
2EA(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-
6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE
E2F7E0.71
BAX4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-
N-METHYLPYRIDINE-2-CARBOXAMIDE
A,B1UWH0.77
BAX4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-
N-METHYLPYRIDINE-2-CARBOXAMIDE
A,B1UWJ0.77
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
A4L9-[(5-(ACETYLAMINO)-6-{[(1S,4R)-
8-AMINO-4-[((2R)-6-AMINO-2-{2-[(1S)-
5-AMINO-1-FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]-
1-(4-AMINOBUTYL)-2,3-DIOXOOCTYL]AMINO}-
6-OXOHEXYL)AMINO]-6-CHLORO-2-METHOXYACRIDINIUM
A,B1XCS0.71
FTCN-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-
N'-[5-CHLORO-PYRIDYL]-THIOUREA
A1DTT0.71
FTCN-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-
N'-[5-CHLORO-PYRIDYL]-THIOUREA
A1JLC0.71
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1O6H0.71
4PY(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-
PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE
E2OJF0.72
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B2OP10.74
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B,C,D3FNE0.74
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.71
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.71
8935-CYANO-N-(2,5-DIMETHOXYBENZYL)-
6-ETHOXYPYRIDINE-2-CARBOXAMIDE
A,B2H960.73
A421-(5-CHLORO-2,4-DIMETHOXYPHENYL)-
3-(5-CYANOPYRAZIN-2-YL)UREA
A2YWP0.7
PIL3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-METHOXYBENZAMIDE
A,B1XM40.75
PIL3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-METHOXYBENZAMIDE
A,B1XON0.75
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUK0.77
L09N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-
N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA
A1WBN0.74
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.74
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.74
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.74
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
E2F7X0.72
QQ2[(2-CHLORO-5-METHYLPHENYL){6-[(4-
{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO]ACETONITRILE
A,B,C,D2IW60.7
POS1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-
3-[[N/N-(4-PYRIDINYLCARBONYL)-L-
LEUCYL]AMINO]-2-PROPANOL
A1AU20.71
LIB3-(2-CHLOROPHENYL)-1-(2-{[(1S)-
2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-
4-YL)-1-(4-METHOXYPHENYL)UREA
A2GHL0.71
KTNCIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-
2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-
DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE
A1JIP0.71
KTNCIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-
2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-
DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE
A1JIN0.71
KLN1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-
DICHLOROPHENYL)-2-(1H-IMIDAZOL-
1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE
A,B,C,D2V0M0.71
353N-{4-[(2-amino-3-chloropyridin-
4-yl)oxy]-3-fluorophenyl}-4-ethoxy-
1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-
3-carboxamide
A3F820.71
I05(3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-
3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-
3-YL}-ISONICOTINAMIDE
A1VEB0.71
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.79
7PC2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-
5-PYRIDIN-2-YLPHENOL
A,B2OP00.76
KIN1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-
[3-(TRIFLUOROMETHYL)PHENYL]UREA
A2HZN0.74
I48N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-
ETHOXY]-PHENYL}-BENZENESULFONAMIDE
H1UVT0.73
85A18-CHLORO-2-OXO-17-[(PYRIDIN-4-
YLMETHYL)AMINO]-2,3,11,12,13,14-
HEXAHYDRO-1H,10H-4,8-(AZENO)-9,15,1,3,6-
BENZODIOXATRIAZACYCLOHEPTADECINE-
7-CARBONITRILE
A,B2E9V0.74
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide
A,B2QX90.7
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide
A,B2QX80.7
LI43-(1-NAPHTHYLMETHOXY)PYRIDIN-2-
AMINE
A1WBW0.7
H1L(2S)-2-(4-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-
2-YL]OXY}PHENOXY)PROPANOIC ACID
A,B,C1UYS0.74