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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03314565

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N		A1AU40.71
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,B1NL60.71
R96N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH70.7
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE		A2ORP0.73
L081-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-
3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE		A,B,C,D1RD40.72
DH12,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINEA2FZH0.73
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.73
CKKN-{[4-({5-[(4-aminopiperidin-1-
yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-
4-yl}oxy)-3-fluorophenyl]carbamoyl}-
2-(4-fluorophenyl)acetamide		A3C1X0.73
3B82-amino-7-fluoro-5-oxo-5H-chromeno[2,3-
b]pyridine-3-carboxamide		A3BA80.7
I1H3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-
4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN-
4-YL)METHYL]BENZAMIDE		B2BMG0.75
MXA6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE		A1U710.73
MXA6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE		A1DLR0.73
5IG6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-
2H-1,4-BENZOXAZIN-3(4H)-ONE		A,B2G1Y0.71
541(2R)-N-HYDROXY-2-[(3S)-3-METHYL-
3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-
2-OXOPYRROLIDIN-1-YL]PROPANAMIDE		A,B2FV50.73
550methyl (1R,2S)-2-(hydroxycarbamoyl)-
1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate		A,B3EDZ0.71
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER		A1ME30.71
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide		A3BAC0.73
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide		A3BA90.73
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUJ0.77
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE		A,B,C1O6H0.73
UA4(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2-(3,5-DIFLUOROPHENYL)-4-
(3-METHOXYPROPYL)-2-METHYL-2H-1,4-
BENZOXAZIN-3(4H)-ONE		A,B2I4Q0.7
BQN4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-
2,3-bis(trifluoromethyl)phenyl]prop-
2-enoyl}morpholine		B,C3BQN0.73
H863-(decyloxy)-5-(3,5-difluorophenyl)-
1-(2,2-diphosphonoethyl)pyridinium		A,B2Z780.71
I08(3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-
6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-
VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE		A1SVH0.71
PC01-[2-(4-ETHOXY-3-FLUOROPYRIDIN-
2-YL)ETHYL]-3-(5-METHYLPYRIDIN-
2-YL)THIOUREA		A2HNZ0.7
4MR5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-
2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-
TRIONE		A,B2OVX0.78
MT32-benzyl-5-{4-[(6,7-dimethoxyquinolin-
4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-
4(3H)-one		A,B3EFJ0.7
8935-CYANO-N-(2,5-DIMETHOXYBENZYL)-
6-ETHOXYPYRIDINE-2-CARBOXAMIDE		A,B2H960.71
LII(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-
1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-
D]PYRIMIDINE		A1KMV0.71
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,D,U,X1FM60.77
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,B2PRG0.77
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A1ZGY0.77
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,B3CS80.77
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,D3DZY0.77
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,D1J4R0.76
AZOMETHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-
4-YL]OXY}PHENYL)-3-METHOXYACRYLATE		C,D,E1SQB0.7
319N-({4-[(2-aminopyridin-4-yl)oxy]-
3-fluorophenyl}carbamoyl)-2-(4-
fluorophenyl)acetamide		A3CTH0.77
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDU0.74
AK81-[3-methyl-4-({3-[2-(methylamino)pyrimidin-
4-yl]pyridin-2-yl}oxy)phenyl]-3-
[3-(trifluoromethyl)phenyl]urea		A,B3EFW0.73
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium		A3GSY0.7
KNI(N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL-
METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE		A,B3FX50.71
KNI(N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL-
METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE		B1HPX0.71
KNI(N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL-
METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE		B2ZYE0.71
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,B2F3K0.71
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE		A2FVJ0.71
P3Y5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-
B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-
3-CARBOXAMIDE		A2Z600.73
P3Y5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-
B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-
3-CARBOXAMIDE		A,B2QOH0.73
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUK0.77
PIX4-(3-{[5-(trifluoromethyl)pyridin-
2-yl]oxy}benzyl)piperidine-1-carboxylic acid		A,B2WAP0.79
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.73
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDV0.72
PIL3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-METHOXYBENZAMIDE		A,B1XM40.72
PIL3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-METHOXYBENZAMIDE		A,B1XON0.72
3284-({4-[(4-methoxypyridin-2-yl)amino]piperidin-
1-yl}carbonyl)benzonitrile		A,B3EAI0.72
LI43-(1-NAPHTHYLMETHOXY)PYRIDIN-2-
AMINE		A1WBW0.72
L11N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-
PHENYL]-3-FLUORO-		A1W830.73
PD11-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-
PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-
PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA		A,B2FGI0.7
BI92-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-
4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-
N-METHYLBENZAMIDE		A2JKK0.7
I05(3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-
3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-
3-YL}-ISONICOTINAMIDE		A1VEB0.71
608N-(4-phenoxyphenyl)-2-[(pyridin-
4-ylmethyl)amino]nicotinamide		A,B2P2I0.74
BNE2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-
3-YL)-PHENOXY]-4-[1-AMINO-1-(1-
METHYL-1H-IMIDIZOL-5-YL)-ETHYL]-
BENZONITRILE		B1MZC0.72
MR94-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN-
4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN-
4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2P4I0.71
KIN1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-
[3-(TRIFLUOROMETHYL)PHENYL]UREA		A2HZN0.74
5472,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-
B]PYRIDIN-4-AMINE		A2OF20.7
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE		A,B,C,D2W0D0.7
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE		A3AYK0.7
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE		A,B1JIZ0.7
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE		A4AYK0.7
SDZ1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-
PROPYL]-4-(2-PYRIDYL)-PIPERAZINE		11HRV0.74
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE		A1FLS0.72
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE		A1FM10.72
4IG(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2-(3,5-DIFLUOROPHENYL)-4-
(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-
3(4H)-ONE		A,B2G1S0.7
I04N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-
3-METHOXY-BENZOYL)-BENZOYLAMINO]-
AZEPAN-3-YL}ISONICOTINAMIDE		A1SVG0.72
9IPN~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHS0.71
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.79
POF(4aS,4bR,10bS,12aS)-12a-methyl-
1,3-dioxo-2-(pyridin-3-ylmethyl)-
1,2,3,4,4a,4b,5,6,10b,11,12,12a-
dodecahydronaphtho[2,1-f]isoquinolin-
8-yl sulfamate		A3C7P0.76
R55N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH80.7